ycl National Strategy to Reduce Food Loss and Waste and Recycle Organics Announced By www.foodengineeringmag.com Published On :: Thu, 13 Jun 2024 09:50:29 -0400 The joint efforts aim to reduce waste, increase recycling of organics, reduce climate pollution, save families and businesses money, and support a circular economy. Full Article
ycl Research Finds New Potential Use for Recycled Food and Beverage Cartons By www.foodengineeringmag.com Published On :: Tue, 13 Aug 2024 08:16:44 -0400 Researchers produced pulp from recycled food and beverage cartons, which it then transformed into moulded products using two commonly used techniques. Full Article
ycl Mohawk's SolidTech R Recycles Single-Use Plastic into High-Performance Resilient Flooring By www.floortrendsmag.com Published On :: Mon, 07 Oct 2024 15:00:00 -0400 SolidTech R is engineered with a unique stone recycled core, replacing all PVC with 100% recycled single-use plastic. Each square foot of SolidTech R contains the equivalent of 20 recycled water bottles. Additionally, every purchase of SolidTech R goes toward stopping ocean plastic in collaboration with Plastic Bank. Full Article
ycl SÜDPACK, LEIBINGER Join Forces on Continuous Inkjet Inks for Recyclable Film Packaging By www.foodengineeringmag.com Published On :: Thu, 12 Sep 2024 10:00:00 -0400 SÜDPACK and industrial printing specialist LEIBINGER have joined forces test the suitability of continuous inkjet (CIJ) inks for printing on recyclable films for packaging food that is sterilized following the packaging process. Full Article
ycl UPM Specialty Papers Joins Forces with Michelman on Recyclable Paper Packaging By www.foodengineeringmag.com Published On :: Tue, 29 Oct 2024 08:54:00 -0400 UPM Specialty Papers has used coatings from Michelman to develop recyclable paper packaging designed for food applications. Full Article
ycl Bavarian brewery testing a method to upcycle protein from spent brewers’ grains By www.foodengineeringmag.com Published On :: Mon, 07 Feb 2022 09:15:00 -0500 Spent brewers’ grains not only provide a source of energy for a brewery, but can also provide a salable, high-value protein. Full Article
ycl Americo Full Cycle Floor Pads Achieves New Green Seal Certification By www.floortrendsmag.com Published On :: Thu, 13 Apr 2017 00:00:00 -0400 Green Seal recently announced that its first products certified are floor-care pads from Americo Manufacturing. Full Article
ycl California Achieves Record Carpet Recycling Rate By www.floortrendsmag.com Published On :: Tue, 17 Sep 2024 07:00:00 -0400 The California carpet recycling rate was 35% for the year 2023 and reached 41% in Q1 2024, pulling even with the statewide recycling rate for all materials. This annual rate is an 83% increase over 2019’s rate despite economic and operational challenges that have created significant headwinds. Full Article
ycl New California Law Overhauls Carpet Recycling Program, Sparking Industry Concerns By www.floortrendsmag.com Published On :: Tue, 01 Oct 2024 10:30:00 -0400 AB 863 will replace the current carpet recycling program, which has consistently met state goals, with a complicated new program that is both untested, unproven, and more costly, said The Carpet and Rug Institute (CRI), which opposes the measure. See previous coverage here. Full Article
ycl CARE Executive Director Bob Peoples Discusses Recycling Challenges and California's AB 863 Bill By www.floortrendsmag.com Published On :: Thu, 03 Oct 2024 12:00:00 -0400 Bob Peoples, executive director of Carpet America Recovery Effort (CARE), attended The Flooring Sustainability Summit where he spoke on carpet recycling. Here, he talks more in-depth about the Summit, the history of CARE, and the AB-863 California carpet recycling bill. Full Article
ycl CARE's Next Steps for California's Carpet Recycling Program By www.floortrendsmag.com Published On :: Fri, 18 Oct 2024 18:00:00 -0400 California lawmakers recently updated the state's carpet recycling program, which will take effect in January. The Carpet America Recovery Effort (CARE) is working to understand how the new requirements will impact its existing approved plan. Full Article
ycl California Carpet Recycling Program Seeks Assessment Fee Hike for 2025 By www.floortrendsmag.com Published On :: Wed, 23 Oct 2024 09:08:46 -0400 Carpet America Recovery Effort (CARE) has requested CalRecycle's approval for an increase in carpet recycling fees, proposed to take effect February 1, 2025. The adjustment aims to meet new reserve requirements mandated by CalRecycle for year-end 2025. Full Article
ycl CARE Sets Date for 2025 Carpet Recycling Conference, Announces Lead Sponsor By www.floortrendsmag.com Published On :: Thu, 24 Oct 2024 12:00:00 -0400 The Carpet America Recovery Effort (CARE) will host its 23rd Annual Conference under the theme "Carpet Recycling: Riding the Sustainability Wave" at the Sea Bird Resort in Oceanside, California, May 20-21, 2025. Full Article
ycl Breaking the child labour cycle through education: issues and impacts of the COVID-19 pandemic on children of in-country seasonal migrant workers in the brick kilns of Nepal. By ezproxy.scu.edu.au Published On :: Fri, 01 Oct 2021 00:00:00 -0400 Children's Geographies; 10/01/2021(AN 152966703); ISSN: 14733285Academic Search Premier Full Article NEPAL COVID-19 pandemic CHILD labor MIGRANT labor SEASONS COVID-19 BRICKS
ycl Savers and Borrowers in the Swedish Working Class During the 19th Century—A Life Cycle Perspective By ifp.nyu.edu Published On :: Thu, 17 Oct 2024 21:10:54 +0000 The post Savers and Borrowers in the Swedish Working Class During the 19th Century—A Life Cycle Perspective was curated by information for practice. Full Article History
ycl A Loss Cycle of Burnout Symptoms and Reduced Coping Self-Efficacy: A Latent Change Score Modelling Approach By ifp.nyu.edu Published On :: Sat, 02 Nov 2024 15:59:30 +0000 Chronic Stress, Volume 8, Issue , January-December 2024. Police officers are frequently faced with chronic and acute stressors, such as excessive workload, organizational stressors and emotionally charged reports. This study aims to examine the relationship between a form of chronic strain (ie, burnout symptoms) and a resource (ie, coping self-efficacy) in a sample of Dutch […] The post A Loss Cycle of Burnout Symptoms and Reduced Coping Self-Efficacy: A Latent Change Score Modelling Approach was curated by information for practice. Full Article Open Access Journal Articles
ycl How Different Forms of Cognitive Distortion Can Lead to a Continuous Cycle of Negativity By laughingsquid.com Published On :: Sun, 10 Nov 2024 15:28:52 +0000 The Wiser Way explained the overarching concept of cognitive distortion, an "all or nothing" way of thinking and how to break its cycle. Full Article Blog
ycl Something Wild: Boom & Bust Cycles By www.nhpr.org Published On :: Fri, 25 Sep 2020 13:31:23 +0000 This episode of Something Wild was produced by Andrew Parrella: The number of acorns a tree produces in a given year has to do with masting. Not mast like on tall ships, but mast as in masticate, or to chew and it refers to the fruit, seeds or nuts that trees produce and are in turn fodder for animals. Especially in New Hampshire, oak mast follows a boom or bust cycle, which means the amount of acorns varies from year to year. Over time, evolution has favored the oak trees that demonstrate this boom or bust cycle. This keeps seed consumers off balance and that's actually a good thing. If there were the same amount of acorns every year, there would be just enough mice and turkey and deer and others to consume every single acorn. However, by producing very few acorns a couple of years running, they starve the animals and the populations of seed predators crash. Then, the oak has a boom year and there aren't enough animals to eat them all, which allows some of those acorn to become trees. Full Article
ycl Zen: The Art of Motorcycle Maintenance Long Since Lost By english.pravda.ru Published On :: Tue, 09 Aug 2022 18:59:00 +0300 Spring arrived late. Much later than usual. It was already mid May. However, the numerous narrow streams of clean cool mountain water atop the blacktop, confirmed the season’s arrival. Those rivers of water were everywhere. This was normal. It was time. Lift the aluminum garage door. First, strip the tarp. Then roll the British Twin from its hibernation. This was its first season under covers, tucked away from the Old Man Winter. Kind of like a debutante’s arrival. Full Article Society
ycl 3aH,4H,5H,8H,9H,9aH-Cycloocta[d][1,3]dioxole-2-thione By journals.iucr.org Published On :: The thionocarbonate of trans-cyclooctenediol, C9H12O2S, crystallizes with a 9/1 disorder in the position of the R,R and S,S-enantiomers. As a result of trans-annulation, both rings adopt a twist conformation. Full Article text
ycl A second crystalline modification of 2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide By journals.iucr.org Published On :: 2023-11-30 A second crystalline modification of the title compound, C12H19N3S [common name: cis-jasmone thiosemicarbazone] was crystallized from tetrahydrofurane at room temperature. There is one crystallographic independent molecule in the asymmetric unit, showing disorder in the cis-jasmone chain [site-occupancy ratio = 0.590 (14):0.410 (14)]. The thiosemicarbazone entity is approximately planar, with the maximum deviation from the mean plane through the N/N/C/S/N atoms being 0.0463 (14) Å [r.m.s.d. = 0.0324 Å], while for the five-membered ring of the jasmone fragment, the maximum deviation from the mean plane through the carbon atoms amounts to 0.0465 (15) Å [r.m.s.d. = 0.0338 Å]. The molecule is not planar due to the dihedral angle between these two fragments, which is 8.93 (1)°, and due to the sp3-hybridized carbon atoms in the jasmone fragment chain. In the crystal, the molecules are connected by N—H⋯S and C—H⋯S interactions, with graph-set motifs R22(8) and R21(7), building mono-periodic hydrogen-bonded ribbons along [010]. A Hirshfeld surface analysis indicates that the major contributions for the crystal cohesion are H⋯H (67.8%), H⋯S/S⋯H (15.0%), H⋯C/C⋯H (8.5%) and H⋯N/N⋯H (5.6%) [only non-disordered atoms and those with the highest s.o.f. were considered]. This work reports the second crystalline modification of the cis-jasmone thiosemicarbazone structure, the first one being published recently [Orsoni et al. (2020). Int. J. Mol. Sci. 21, 8681–8697] with the crystals obtained in ethanol at 273 K. Full Article text
ycl 2-{3-Methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}-N-phenylhydrazinecarbothioamide. Corrigendum By journals.iucr.org Published On :: 2024-01-31 In the paper by Oliveira et al. [IUCrData (2023), 8, x230971], there was an error in the name of the first author. Full Article text
ycl N-Methyl-2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide By journals.iucr.org Published On :: 2024-01-09 The equimolar and hydrochloric acid-catalysed reaction between cis-jasmone and 4-methylthiosemicarbazide in ethanolic solution yields the title compound, C13H21N3S (common name: cis-jasmone 4-methylthiosemicarbazone). Two molecules with all atoms in general positions are present in the asymmetric unit. In one of them, the carbon chain is disordered [site occupancy ratio = 0.821 (3):0.179 (3)]. The thiosemicarbazone entities [N—N—C(=S)—N] are approximately planar, with the maximum deviation from the mean plane through the selected atoms being −0.0115 (16) Å (r.m.s.d. = 0.0078 Å) for the non-disordered molecule and 0.0052 (14) Å (r.m.s.d. = 0.0031 Å) for the disordered one. The molecules are not planar, since the jasmone groups have a chain with sp3-hybridized carbon atoms and, in addition, the thiosemicarbazone fragments are attached to the respective carbon five-membered rings and the dihedral angles between them for each molecule amount to 8.9 (1) and 6.3 (1)°. In the crystal, the molecules are connected through pairs of N—H⋯S and C—H⋯S interactions into crystallographically independent centrosymmetric dimers, in which rings of graph-set motifs R22(8) and R21(7) are observed. A Hirshfeld surface analysis indicates that the major contributions for the crystal cohesion are from H⋯H (70.6%), H⋯S/S⋯H (16.7%), H⋯C/C⋯H (7.5%) and H⋯N/N⋯H (4.9%) interactions [considering the two crystallographically independent molecules and only the disordered atoms with the highest s.o.f. for the evaluation]. Full Article text
ycl (4-Butyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)rhodium(I) tetrafluoridoborate By journals.iucr.org Published On :: 2024-01-26 In the title triazole-based N-heterocyclic carbene rhodium(I) cationic complex with a tetrafluoridoborate counter-anion, [Rh(C8H12)(C8H15N3)(C18H15P)]BF4, which crystallizes with two cations and two anions in the asymmetric unit, the Rh center has a distorted square-planar coordination geometry with expected bond distances. Several nonclassical C—H⋯F hydrogen-bonding interactions help to consolidate the packing. Two of the F atoms of one of the anions are disordered over adjacent sites in a 0.814 (4):0.186 (4) ratio. Full Article text
ycl (5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κN1)(1,4,8,11-tetraazacyclotetradecane-κ4N)zinc(II) perchlorate By journals.iucr.org Published On :: 2024-05-21 In the structure of the title complex, [Zn(C4H2FN2O2)(C10H24N4)]ClO4, the zinc(II) ion forms coordination bonds with the four nitrogen atoms of cyclam (1,4,8,11-tetraazacyclotetradecane or [14]aneN4) as well as with the nitrogen atom of a deprotonated 5-fluorouracil ion (FU−). Cyclam adopts a trans-I type conformation within this structure. The coordination structure of the zinc(II) ion is a square pyramid with a distorted base plane formed by the four nitrogen atoms of the cyclam. FU− engages in intermolecular hydrogen bonding with neighboring FU− molecules and with the cyclam molecule. Full Article text
ycl (4-Butyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate By journals.iucr.org Published On :: 2024-06-07 The title compound, [Ir(C8H12)(C8H15N3)(C18H15P)]BF4, a new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetrafluoridoborate counter-anion, crystallizes with two cations and two anions in the asymmetric unit of space group Pc. The Ir centers of the cations have distorted square-planar conformations, formed by a bidentate (η2 + η2) cycloocta-1,5-diene (COD) ligand, an N-heterocyclic carbene and a triphenylphosphane ligand with the NHC carbon atom and P atom being cis. In the extended structure, non-classical C–H⋯F hydrogen bonds, one of which is notably short (H⋯F = 2.21 Å), link the cations and anions. The carbon atoms of one of the COD ligands are disordered over adjacent sites in a 0.62:0.38 ratio. Full Article text
ycl Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate) By journals.iucr.org Published On :: 2024-06-11 The title cobalt(II) complex, [Co(C2H3N)3(C9H21N3)](C24H20B)2 or [(tacn)Co(NCMe)3][BPh4]2, has been characterized by single-crystal X-ray diffraction. It incorporates the well-known macrocyclic tacn (1,4,7-trimethyl-1,4,7-triazacyclononane) ligand, which is coordinated facially to the metal center. The complex crystallizes in space group P21/c with Z = 4. The divalent cobalt ion exhibits a six-coordinate octahedral geometry by one tacn and three acetonitrile ligands. Two non-coordinating tetraphenylborate (BPh4−) anions are also present. Full Article text
ycl [1-(Anthracen-9-ylmethyl)-1,4,7,10-tetraazacyclododecane]chloridozinc(II) nitrate By journals.iucr.org Published On :: 2024-07-12 In the title salt, [ZnCl(C23H30N4)]NO3, the central ZnII atom of the complex cation is coordinated in a square-pyramidal arrangement by four nitrogen atoms from cyclen (1,4,7,10-tetraazacyclododecane) in the basal plane and one chlorido ligand in the apical position. The anthracene group attached to cyclen contributes to the crystal packing through intermolecular T-shaped π interactions. Additionally, the nitrate anion participates in intermolecular N—H⋯O hydrogen bonds with cyclen. Full Article text
ycl Chlorido[(1,2,5,6-η)-cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)rhodium(I) By journals.iucr.org Published On :: 2024-07-23 A new neutral triazole-based N-heterocyclic carbene rhodium(I) complex [RhCl(C8H12)(C8H15N3)], has been synthesized and structurally characterized. The complex crystallizes with two molecules in the asymmetric unit. The central rhodium(I) atom has a distorted square-planar coordination environment, formed by a cycloocta-1,5-diene (COD) ligand, an N-heterocyclic carbene (NHC) ligand, and a chlorido ligand. The bond lengths are unexceptional. A weak intermolecular non-standard hydrogen-bonding interaction exists between the chlorido and NHC ligands. Full Article text
ycl [(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate By journals.iucr.org Published On :: 2024-08-02 A new, cationic N-heterocyclic carbene RhI complex with a tetrafluoridoborate counter-anion, [Rh(C8H12)(C8H15N3)(C18H15P)]BF4, has been synthesized and structurally characterized. There are two independent ion pairs in the asymmetric unit. Each complex cation exhibits a distorted square-planar conformation around the RhI atom. Bond lengths and bond angles are as expected for an Rh–NHC complex. There are several close, non-standard C—H⋯F hydrogen-bonding interactions between the ions. One of the tetrafluoridoborate anions shows statistical disorder of the F atoms. Full Article text
ycl [(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane hemisolvate By journals.iucr.org Published On :: 2024-09-30 A new triazole-based N-heterocyclic carbene IrI cationic complex with a tetrafluoridoborate counter-anion and hemi-solvating dichloromethane, [Ir(C8H12)(C8H15N3)(C18H15P)]BF4·0.5CH2Cl2, has been synthesized and structurally characterized. There are two independent ion pairs in the asymmetric unit and one dichloromethane solvent molecule per two ion pairs. The cationic complex exhibits a distorted square-planar conformation around the IrI atom, formed by a bidentate cycloocta-1,5,diene (COD) ligand, a triphenylphosphane ligand, and an N-heterocyclic carbene (NHC). There are several close non-standard H⋯F hydrogen-bonding interactions that orient the tetrafluoridoborate anions with respect to the IrI complex molecules. The complex shows promising catalytic activity in transfer hydrogenation reactions. The structure was refined as a non-merohedral twin, and one of the COD molecules is statistically disordered. Full Article text
ycl 3aH,4H,5H,8H,9H,9aH-Cycloocta[d][1,3]dioxole-2-thione By journals.iucr.org Published On :: 2024-11-08 The thionocarbonate of trans-cyclooctenediol, C9H12O2S, crystallizes with a 9/1 disorder in the position of the R,R and S,S-enantiomers. As a result of trans-annulation, both rings adopt a twist conformation. Full Article text
ycl Crystal structure of the cytotoxic macrocyclic trichothecene Isororidin A By journals.iucr.org Published On :: 2024-07-10 The highly cytotoxic macrocyclic trichothecene Isororidin A (C29H40O9) was isolated from the fungus Myrothesium verrucaria endophytic on the wild medicinal plant `Datura' (Datura stramonium L.) and was characterized by one- (1D) and two-dimensional (2D) NMR spectroscopy. The three-dimensional structure of Isororidin A has been confirmed by X-ray crystallography at 0.81 Å resolution from crystals grown in the orthorhombic space group P212121, with one molecule per asymmetric unit. Isororidin A is the epimer of previously described (by X-ray crystallography) Roridin A at position C-13' of the macrocyclic ring. Full Article text
ycl 3-[(Benzo-1,3-dioxol-5-yl)amino]-4-methoxycyclobut-3-ene-1,2-dione: polymorphism and twinning of a precursor to an antimycobacterial squaramide By journals.iucr.org Published On :: 2024-07-05 The title compound, 3-[(benzo-1,3-dioxol-5-yl)amino]-4-methoxycyclobut-3-ene-1,2-dione, C12H9NO5 (3), is a precursor to an antimycobacterial squaramide. Block-shaped crystals of a monoclinic form (3-I, space group P21/c, Z = 8, Z' = 2) and needle-shaped crystals of a triclinic form (3-II, space group P-1, Z = 4, Z' = 2) were found to crystallize concomitantly. In both crystal forms, R22(10) dimers assemble through N—H⋯O=C hydrogen bonds. These dimers are formed from crystallographically unique molecules in 3-I, but exhibit crystallographic Ci symmetry in 3-II. Twinning by pseudomerohedry was encountered in the crystals of 3-II. The conformations of 3 in the solid forms 3-I and 3-II are different from one another but are similar for the unique molecules in each polymorph. Density functional theory (DFT) calculations on the free molecule of 3 indicate that a nearly planar conformation is preferred. Full Article text
ycl Synthesis of organotin(IV) heterocycles containing a xanthenyl group by a Barbier approach via ultrasound activation: synthesis, crystal structure and Hirshfeld surface analysis By journals.iucr.org Published On :: 2024-07-25 A series of organotin heterocycles of general formula [{Me2C(C6H3CH2)2O}SnR2] [R = methyl (Me, 4), n-butyl (n-Bu, 5), benzyl (Bn, 6) and phenyl (Ph, 7)] was easily synthesized by a Barbier-type reaction assisted by the sonochemical activation of metallic magnesium. The 119Sn{1H} NMR data for all four compounds confirm the presence of a central Sn atom in a four-coordinated environment in solution. Single-crystal X-ray diffraction studies for 17,17-dimethyl-7,7-diphenyl-15-oxa-7-stannatetracyclo[11.3.1.05,16.09,14]heptadeca-1,3,5(16),9(14),10,12-hexaene, [Sn(C6H5)2(C17H16O)], 7, at 100 and 295 K confirmed the formation of a mononuclear eight-membered heterocycle, with a conformation depicted as boat–chair, resulting in a weak Sn⋯O interaction. The Sn and O atoms are surrounded by hydrophobic C—H bonds. A Hirshfeld surface analysis of 7 showed that the eight-membered heterocycles are linked by weak C—H⋯π, π–π and H⋯H noncovalent interactions. The pairwise interaction energies showed that the cohesion between the heterocycles are mainly due to dispersion forces. Full Article text
ycl Crystal structure of a bacterial photoactivated adenylate cyclase determined by serial femtosecond and serial synchrotron crystallography By journals.iucr.org Published On :: 2024-10-29 OaPAC is a recently discovered blue-light-using flavin adenosine dinucleotide (BLUF) photoactivated adenylate cyclase from the cyanobacterium Oscillatoria acuminata that uses adenosine triphosphate and translates the light signal into the production of cyclic adenosine monophosphate. Here, we report crystal structures of the enzyme in the absence of its natural substrate determined from room-temperature serial crystallography data collected at both an X-ray free-electron laser and a synchrotron, and we compare these structures with cryo-macromolecular crystallography structures obtained at a synchrotron by us and others. These results reveal slight differences in the structure of the enzyme due to data collection at different temperatures and X-ray sources. We further investigate the effect of the Y6W mutation in the BLUF domain, a mutation which results in a rearrangement of the hydrogen-bond network around the flavin and a notable rotation of the side chain of the critical Gln48 residue. These studies pave the way for picosecond–millisecond time-resolved serial crystallography experiments at X-ray free-electron lasers and synchrotrons in order to determine the early structural intermediates and correlate them with the well studied picosecond–millisecond spectroscopic intermediates. Full Article text
ycl K0.72Na1.71Ca5.79Si6O19 – the first oligosilicate based on [Si6O19]-hexamers and its stability compared to cyclosilicates By journals.iucr.org Published On :: 2024-08-30 Synthesis experiments were conducted in the quaternary system K2O–Na2O–CaO–SiO2, resulting in the formation of a previously unknown compound with the composition K0.72Na1.71Ca5.79Si6O19. Single crystals of sufficient size and quality were recovered from a starting mixture with a K2O:Na2O:CaO:SiO2 molar ratio of 1.5:0.5:2:3. The mixture was confined in a closed platinum tube and slowly cooled from 1150°C at a rate of 0.1°C min−1 to 700°C before being finally quenched in air. The structure has tetragonal symmetry and belongs to space group P4122 (No. 91), with a = 7.3659 (2), c = 32.2318 (18) Å, V = 1748.78 (12) Å3, and Z = 4. The silicate anion consists of highly puckered, unbranched six-membered oligomers with the composition [Si6O19] and point group symmetry 2 (C2). Although several thousands of natural and synthetic oxosilicates have been structurally characterized, this compound is the first representative of a catena-hexasilicate anion, to the best of our knowledge. Structural investigations were completed using Raman spectroscopy. The spectroscopic data was interpreted and the bands were assigned to certain vibrational species with the support of density functional theory at the HSEsol level of theory. To determine the stability properties of the novel oligosilicate compared to those of the chemically and structurally similar cyclosilicate combeite, we calculated the electronegativity of the respective structures using the electronegativity equalization method. The results showed that the molecular electronegativity of the cyclosilicate was significantly higher than that of the oligostructure due to the different connectivities of the oxygen atoms within the molecular units. Full Article text
ycl Crystal structure and antimycobacterial evaluation of 2-(cyclohexylmethyl)-7-nitro-5-(trifluoromethyl)benzo[d]isothiazol-3(2H)-one By journals.iucr.org Published On :: 2023-11-30 The title compound, C15H15F3N2O3S, crystallizes in the monoclinic system, space group I2/a, with Z = 8. As expected, the nine-membered heterobicyclic system is virtually planar and the cyclohexyl group adopts a chair conformation. There is structural evidence for intramolecular N—S⋯O chalcogen bonding between the benzisothiazolinone S atom and one O atom of the nitro group, approximately aligned along the extension of the covalent N—S bond [N—S⋯O = 162.7 (1)°]. In the crystal, the molecules form centrosymmetric dimers through C—H⋯O weak hydrogen bonding between a C—H group of the electron-deficient benzene ring and the benzothiazolinone carbonyl O atom with an R22(10) motif. In contrast to the previously described N-acyl 7-nitro-5-(trifluoromethyl)benzo[d]isothiazol-3(2H)-ones, the title N-cyclohexylmethyl analogue does not inhibit growth of Mycobacterium aurum and Mycobacterium smegmatis in vitro. Full Article text
ycl Crystal structures of sulfonamide protected bicyclic guanidines: (S)-8-{[(tert-butyldimethylsilyl)oxy]methyl}-1-[(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl]-1,3,4,6,7,8-hexa By journals.iucr.org Published On :: 2024-02-20 Two compounds, (S)-8-{[(tert-butyldimethylsilyl)oxy]methyl}-1-[(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl]-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium trifluoromethanesulfonate, C27H46N3O4SSi+·CF3O3S−, (1) and (S)-8-(iodomethyl)-1-tosyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium iodide, C15H21IN3O2S+·I−, (2), have been synthesized and characterized. They are bicyclic guanidinium salts and were synthesized from N-(tert-butoxycarbonyl)-l-methionine (Boc-l-Met-OH). The guanidine is protected by a 2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl (Pbf, 1) or a tosyl (2) group. In the crystals of both compounds, the guanidinium group is almost planar and the N–H forms an intramolecular hydrogen bond in a six-membered ring to the oxygen atom of the sulfonamide protecting group. Full Article text
ycl Omadacycline dihydrate, C29H40N4O7·2H2O, from X-ray powder diffraction data By journals.iucr.org Published On :: 2024-02-16 The crystal structure of the title compound {systematic name: (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide dihydrate, C29H40N4O7·2H2O} has been solved and refined using synchrotron X-ray powder diffraction data: it crystallizes in space group R3 with a = 24.34430 (7), c = 14.55212 (4) Å, V = 7468.81 (2) Å3 and Z = 9. Most of the hydrogen bonds are intramolecular, but two classical N—H⋯O intermolecular hydrogen bonds (along with probable weak C—H⋯O and C—H⋯N hydrogen bonds) link the molecules into a three-dimensional framework. The framework contains voids, which contain disordered water molecules. Keto–enol tautomerism is apparently important in this molecule, and the exact molecular structure is ambiguous. Full Article text
ycl The unanticipated oxidation of a tertiary amine in a tetracyclic glyoxal-cyclam condensate yielding zinc(II) coordinated to a sterically hindered amine oxide By journals.iucr.org Published On :: 2024-03-06 The complex, trichlorido(1,4,11-triaza-8-azoniatetracyclo[6.6.2.04,16.011,15]hexadecane 1-oxide-κO)zinc(II) monohydrate, [ZnCl3(C12H23N4O)]·H2O, (I), has monoclinic symmetry (space group P21/n) at 120 K. The zinc(II) center adopts a slightly distorted tetrahedral coordination geometry and is coordinated by three chlorine atoms and the oxygen atom of the oxidized tertiary amine of the tetracycle. The amine nitrogen atom, inside the ligand cleft, is protonated and forms a hydrogen bond to the oxygen of the amine oxide. Additional hydrogen-bonding interactions involve the protonated amine, the water solvate oxygen atom, and one of the chloro ligands. Full Article text
ycl Crystal structure and Hirshfeld surface analysis of 8-benzyl-1-[(4-methylphenyl)sulfonyl]-2,7,8,9-tetrahydro-1H-3,6:10,13-diepoxy-1,8-benzodiazacyclopentadecine ethanol hemisolvate By journals.iucr.org Published On :: 2024-03-26 The asymmetric unit of the title compound, 2C31H28N2O4S·C2H6O, contains a parent molecule and a half molecule of ethanol solvent. The main compound stabilizes its molecular conformation by forming a ring with an R12(7) motif with the ethanol solvent molecule. In the crystal, molecules are connected by C—H⋯O and O—H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π interactions also strengthen the molecular packing. Full Article text
ycl Synthesis, crystal structure and Hirshfeld analysis of N-ethyl-2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide By journals.iucr.org Published On :: 2024-04-09 The title compound (C14H23N3S, common name: cis-jasmone 4-ethylthiosemicarbazone) was synthesized by the equimolar reaction of cis-jasmone and 4-ethylthiosemicarbazide in ethanol facilitated by acid catalysis. There is one crystallographically independent molecule in the asymmetric unit, which shows disorder of the terminal ethyl group of the jasmone carbon chain [site-occupancy ratio = 0.911 (5):0.089 (5)]. The thiosemicarbazone entity [N—N—C(=S)—N] is approximately planar, with the maximum deviation of the mean plane through the N/N/C/S/N atoms being 0.0331 (8) Å, while the maximum deviation of the mean plane through the five-membered ring of the jasmone fragment amounts to −0.0337 (8) Å. The dihedral angle between the two planes is 4.98 (7)°. The molecule is not planar due to this structural feature and the sp3-hybridized atoms of the jasmone carbon chain. Additionally, one H⋯N intramolecular interaction is observed, with graph-set motif S(5). In the crystal, the molecules are connected through pairs of H⋯S interactions with R22(8) and R21(7) graph-set motifs into centrosymmetric dimers. The dimers are further connected by H⋯N interactions with graph-set motif R22(12), which are related by an inversion centre, forming a mono-periodic hydrogen-bonded ribbon parallel to the b-axis. The crystal structure and the supramolecular assembly of the title compound are compared with four known cis-jasmone thiosemicarbazone derivatives (two crystalline modifications of the non-substituted form, the 4-methyl and the 4-phenyl derivatives). A Hirshfeld surface analysis indicates that the major contributions for the crystal cohesion are from H⋯H (70.7%), H⋯S/S⋯H (13.5%), H⋯C/C⋯H (8.8%), and H⋯N/N⋯H (6.6%) interfaces (only the disordered atoms with the highest s.o.f. were considered for the evaluation). Full Article text
ycl Crystal structure and Hirshfeld surface analysis of (Z)-4-({[2-(benzo[b]thiophen-3-yl)cyclopent-1-en-1-yl]methyl}(phenyl)amino)-4-oxobut-2-enoic acid By journals.iucr.org Published On :: 2024-04-26 In the title compound, C24H21NO3S, the cyclopentene ring adopts an envelope conformation. In the crystal, molecules are linked by C—H⋯π interactions, forming ribbons along the a axis. Intermolecular C—H⋯O hydrogen bonds connect these ribbons to each other, forming layers parallel to the (0overline{1}1) plane. The molecular packing is strengthened by van der Waals interactions between the layers. The intermolecular contacts were quantified using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H⋯H 46.0%, C⋯H/H⋯C 21.1%, O⋯H/H⋯O 20.6% and S⋯H/H⋯S 9.0%. Full Article text
ycl Crystal structure and Hirshfeld surface analysis of 3,3'-[ethane-1,2-diylbis(oxy)]bis(5,5-dimethylcyclohex-2-en-1-one) including an unknown solvate By journals.iucr.org Published On :: 2024-05-17 The title molecule, C18H26O4, consists of two symmetrical halves related by the inversion centre at the mid-point of the central –C—C– bond. The hexene ring adopts an envelope conformation. In the crystal, the molecules are connected into dimers by C—H⋯O hydrogen bonds with R22(8) ring motifs, forming zigzag ribbons along the b-axis direction. According to a Hirshfeld surface analysis, H⋯H (68.2%) and O⋯H/H⋯O (25.9%) interactions are the most significant contributors to the crystal packing. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9–18] in PLATON. The solvent contribution was not included in the reported molecular weight and density. Full Article text
ycl Synthesis and crystal structure of 2,9-diamino-5,6,11,12-tetrahydrodibenzo[a,e]cyclooctene By journals.iucr.org Published On :: 2024-05-21 The cis- form of diaminodibenzocyclooctane (DADBCO, C16H18N2) is of interest as a negative coefficient of thermal expansion (CTE) material. The crystal structure was determined through single-crystal X-ray diffraction at 100 K and is presented herein. Full Article text
ycl Crystal structure and Hirshfeld surface analysis of dimethyl 2-oxo-4-(pyridin-2-yl)-6-(thiophen-2-yl)cyclohex-3-ene-1,3-dicarboxylate By journals.iucr.org Published On :: 2024-05-24 In the title compound, C19H17NO5S, the cyclohexene ring adopts nearly an envelope conformation. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π interactions connect the molecules by forming layers parallel to the (010) plane. According to the Hirshfeld surface analysis, H⋯H (36.9%), O⋯H/H⋯O (31.0%), C⋯H/H⋯C (18.9%) and S⋯H/H⋯S (7.9%) interactions are the most significant contributors to the crystal packing. Full Article text
ycl A 1:1 flavone cocrystal with cyclic trimeric perfluoro-o-phenylenemercury By journals.iucr.org Published On :: 2024-06-14 The title compound, systematic name tris(μ2-perfluoro-o-phenylene)(μ2-3-phenyl-4H-chromen-4-one)-triangulo-trimercury, [Hg3(C6F4)3(C15H10O2)], crystallizes in the monoclinic P21/n space group with one flavone (FLA) and one cyclic trimeric perfluoro-o-phenylenemercury (TPPM) molecule per asymmetric unit. The FLA molecule is located on one face of the TPPM acceptor and is linked in an asymmetric coordination of its carbonyl oxygen atom with two Hg centers of the TPPM macrocycle. The angular-shaped complexes pack in zigzag chains where they stack via two alternating TPPM–TPPM and FLA–FLA stacking patterns. The distance between the mean planes of the neighboring TPPM macrocycles in the stack is 3.445 (2) Å, and that between the benzo-γ-pyrone moieties of FLA is 3.328 (2) Å. The neighboring stacks are interdigitated through the shortened F⋯F, CH⋯F and CH⋯π contacts, forming a dense crystal structure. Full Article text
ycl Crystal structure of tricarbonyl[η4-6-exo-(triphenylphosphino)cyclohepta-2,4-dien-1-one]iron(0) tetrafluoroborate By journals.iucr.org Published On :: 2024-06-18 The molecular structure of tricarbonyl[η4-6-exo-(triphenylphosphino)cyclohepta-2,4-dien-1-one]iron(0) tetrafluoroborate dichloromethane hemisolvate, [Fe(C28H22O4)(CO)3]BF4·0.5CH2Cl2, as determined by single-crystal X-ray diffraction is reported. The two independent tricarbonyl[η4-6-exo-(triphenylphosphino)cyclohepta-2,4-dien-1-one] iron(0) cations and their corresponding anions form dimers, which constitute the asymmetric unit of the structure parallel to the (100) plane. Solid-state stability within that asymmetric unit as well as between neighboring dimeric units is afforded by C—H⋯O and C—H⋯F hydrogen bonds and C—H⋯π and Y—X⋯π (Y = B, C; X = F, O) interactions, which yield diperiodic sheets and a three-dimensional extended network. Full Article text
ycl Two chromium(II) acetate complexes with N-heterocyclic carbene (NHC) coligands By journals.iucr.org Published On :: 2024-06-28 Tetrakis(μ-acetato-κ2O:O')bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene-κC2]chromium(II)} tetrahydrofuran disolvate, [Cr2(C2H3O2)4(C27H36N4)2]·2C4H8O or [Cr2(OAc)4(IDipp)2]·2C4H8O (1), and tetrakis(μ-acetato-κ2O:O')bis{[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene-κC2]chromium(II)}, {Cr2(C2H3O2)4(C21H24N2)2] or [Cr2(OAc)4(IMes)2] (2), were synthesized from anhydrous chromium(II) acetate [Cr2(OAc)4] and the corresponding NHC (NHC = N-heterocyclic carbene) in toluene as solvent. Both complexes crystallize in the triclinic system, space group Poverline{1}. The molecular structures consist of Cr2(OAc)4 paddle-wheels that carry two terminal NHC ligands. This leads to a square-pyramidal coordination of the chromium atoms. Full Article text