zo Potential Schizophrenia Medications Point to New Disease Model By ifp.nyu.edu Published On :: Mon, 07 Oct 2024 20:07:41 +0000 The post Potential Schizophrenia Medications Point to New Disease Model was curated by information for practice. Full Article Infographics
zo Peripersonal Space Plasticity in Relation to Psychopathology and Anomalous Subjective Experiences in Individuals With Early‐Onset and Adult‐Onset Schizophrenia By ifp.nyu.edu Published On :: Tue, 05 Nov 2024 13:11:08 +0000 ABSTRACT Introduction Individuals with schizophrenia present anomalies in the extension and plasticity of the peripersonal space (PPS), the section of space surrounding the body, shaped through motor experiences. A weak multisensory integration in PPS would contribute to an impairment of self-embodiment processing, a core feature of the disorder linked to specific subjective experiences. In this […] The post Peripersonal Space Plasticity in Relation to Psychopathology and Anomalous Subjective Experiences in Individuals With Early‐Onset and Adult‐Onset Schizophrenia was curated by information for practice. Full Article Journal Article Abstracts
zo Better Ways for Jeff Bezos to Spend $131 Billion By www.nytimes.com Published On :: Thu, 10 May 2018 10:59 -0500 In op-ed, Prof. Harold Pollack discusses ways Jeff Bezos could spend his fortune Full Article
zo Lizzo on feminism, self-love and bringing 'hallelujah moments' to stage By minnesota.publicradio.orghttps Published On :: Thu, 23 May 2019 13:25:26 -0500 The flute-playing pop star celebrates self-acceptance on her latest album, Cuz I Love You. "About 10 years ago, I made the decision that I just wanted to be happy with my body," she says. Full Article
zo A Hungry Anteater Enjoys Several Lovely Treats at the Miller Rehab Zoo in Quebec, Canada By laughingsquid.com Published On :: Sat, 09 Nov 2024 16:24:19 +0000 A hungry anteater named Tammy who lives at the Miller Rehabilitation Zoo in Quebec, Canada enjoyed several lovely treats. Full Article Blog
zo Minnesota Twins initiate front office transition with Falvey to president, Zoll to GM, St. Peter to adviser By www.mprnews.org Published On :: Tue, 12 Nov 2024 17:15:00 +0000 The Minnesota Twins will promote Derek Falvey to president of baseball and business operations and Jeremy Zoll to general manager as part of a front office succession plan initiated by current club president Dave St. Peter’s move into a strategic adviser role. Full Article
zo Why AP called Arizona for Trump By www.mprnews.org Published On :: Sun, 10 Nov 2024 14:58:09 +0000 The Associated Press declared President-elect Donald Trump the winner in Arizona on Saturday night after vote updates in Maricopa and other counties added to his overall lead, putting the state out of reach for Vice President Kamala Harris. Full Article
zo Over 200K subscribers flee Washington Post after Bezos blocks Harris endorsement By www.mprnews.org Published On :: Mon, 28 Oct 2024 19:27:00 +0000 Over 200,000 people canceled their subscriptions in the first few days following news that The Washington Post would not endorse any presidential candidate. Full Article
zo Zoning To Oppose Casella Landfill Plan Divides Small North Country Town By www.nhpr.org Published On :: Mon, 05 Aug 2019 17:24:24 +0000 The solid waste company Casella says it's running out of space for Northern New England's trash. So it's taking the rare step of planning a brand-new landfill, in the small Coös County town of Dalton. Lots of locals agree – they don't want the landfill. But they're divided on one potential tool to block it: zoning. Full Article
zo Zone Skipping vs. Traditional Shipping: What's the Difference? By www.retailtechnologyreview.com Published On :: By Jeremy Light, freelance writer.Businesses are constantly searching for innovative methods to lower costs, increase productivity, and satisfy the ever-increasing demands of their clients in today's fast changing e-commerce environment. Full Article Critical Issues Retail Supply Chain
zo Makhlai blames Uralchem for TogliattiAzot being in trouble By english.pravda.ru Published On :: Mon, 13 Sep 2021 12:26:00 +0300 The runaway owner of TogliattiAzot, Sergei Makhlai, is once again in the spotlight of Russian media. This time their interest was aroused, apparently, by the media publications sponsored by Makhlai. Recently several Russian media have suggested that the chemical giant TogliattiAzot needs a change of ownership, since the current main owners of the plant, headed by Sergei Makhlai, have ruined the enterprise and criminalized it drastically. This seriously scared Makhlai, who attempted to justify himself and lay the blame on the others. Full Article Business
zo SUZOHAPP appoints Simon James as New Executive Vice President of Retail & Transportation, EMEA By www.retailtechnologyreview.com Published On :: SUZOHAPP is pleased to announce the appointment of Simon James as its new Executive Vice President of Retail & Transportation.Simon joined SUZOHAPP as Managing Director (MD) of the United Kingdom & Ireland, on September 1, 2018 and has made a very positive impact on our business there in a year's time. Full Article Critical Issues EPoS Systems Kiosk Technology
zo Russian general killed in special military operation zone By english.pravda.ru Published On :: Fri, 08 Nov 2024 20:34:00 +0300 Major General Pavel Klimenko was killed in the zone of the special military operation in Ukraine. He commanded the 5th separate motorized rifle brigade, which was previously part of the People's Militia of the Donetsk People's Republic. No circumstances of the general's death were provided. Pavel Klimenko held the title of Hero of the DPR, had two Orders of Courage, the Order of Alexander Nevsky and the Medal "For Bravery". Full Article Incidents
zo Idina Menzel to Celebrate the Debut of the Bronx Zoo at the 98th Macy's Thanksgiving Day Parade(r) with a Special Performance From Her New Broadway Musical "Redwood" By www.newswise.com Published On :: Tue, 12 Nov 2024 08:40:41 EST Today, the Bronx Zoo announced that Idina Menzel, Tony Award-winner, actress, philanthropist and multi-platinum-selling singer/songwriter, will perform in the 98th Macy's Thanksgiving Day Parade(r) on the zoo's new "Wondrous World of Wildlife" float. Full Article
zo Incheon’s Ganghwa County Declares ‘Danger Zone,’ Bans Anti-Pyongyang Leafleting By world.kbs.co.kr Published On :: Thu, 31 Oct 2024 14:54:21 +0900 [Inter-Korea] : Incheon’s Ganghwa County, near the inter-Korean border, has designated itself a “danger zone” effective Friday and issued an administrative order banning the dissemination of anti-Pyongyang propaganda leaflets north of the border. According to county officials on Thursday, the decision stems from ...[more...] Full Article Inter-Korea
zo Ozone Alert Days in Seoul Increase Tenfold over Past Decade By world.kbs.co.kr Published On :: Wed, 04 Sep 2024 10:18:59 +0900 [Science] : The number of ozone alert days in Seoul posted a ten-fold increase over the past decade. According to the city government on Wednesday, the number of days when the ozone alerts were issued in the city jumped to 31 through August this year, up from just three days in 2015. The total number of ozone ...[more...] Full Article Science
zo Stromboli vs. Calzone: Different Branches of Pizza Lineage By recipes.howstuffworks.com Published On :: Mon, 08 Apr 2024 11:30:33 -0400 Ordering a stromboli vs. calzone is a matter of personal preference, but the difference between them is clear. One is folded in half like an apple turnover, and the other is rolled up like a jelly roll cake. Full Article
zo What Makes Virgo Men So Unique? Zodiac Insights By entertainment.howstuffworks.com Published On :: Fri, 08 Nov 2024 05:15:02 -0500 Explore Virgo men's traits, compatibility, and relationship dynamics. Learn what makes a Virgo man unique in love and if he's the right zodiac match for you. Full Article
zo Zodiac Signs Elements: Discover the Power Behind Each Element By entertainment.howstuffworks.com Published On :: Wed, 13 Nov 2024 05:30:03 -0500 Discover the unique traits of each zodiac element—fire, earth, air, and water. Uncover how these elements shape personalities and compatibility in astrology. Full Article
zo Structural transformations and stability of benzo[a]pyrene under high pressure By journals.iucr.org Published On :: This study explores the high-pressure behavior of benzo[a]pyrene, revealing two previously unknown polymorphs at 4.8 and 7.1 GPa. These findings enhance our understanding of the structural dynamics and stability of polycyclic aromatic hydrocarbons under extreme conditions. Full Article text
zo Seed layer formation by deposition of micro-crystallites on a revolving substrate: modeling of the effective linear elastic, piezoelectric, and dielectric coefficients By journals.iucr.org Published On :: The rotating substrate method of crystallite deposition is modeled, allowing computation of effective material coefficients of the layers resulting from the averaging. A worked numerical example particularized to 6mm ZnO is provided. Full Article text
zo RAPID, an ImageJ macro for indexing electron diffraction zone axis spot patterns of cubic materials By journals.iucr.org Published On :: RAPID (RAtio method Pattern InDexing) is an ImageJ macro script developed for the quick determination of sample orientation and indexing of calibrated and uncalibrated zone axis aligned electron diffraction patterns from materials with a cubic crystal structure. In addition to SAED and NBED patterns, the program is also capable of handling zone axis TEM Kikuchi patterns and FFTs derived from HR(S)TEM images. The software enables users to rapidly determine whether materials are cubic, pseudo-cubic, or non-cubic, and to distinguish between P, I, and F Bravais lattices. It can also provide lattice parameters for material verification and aid in determining the camera constant of the instrument, thus making the program a convenient tool for on-site crystallographic analysis in the TEM laboratory. Full Article text
zo Crystal structure and Hirshfeld surface analysis of bis(benzoylacetonato)(ethanol)dioxidouranium(VI) By journals.iucr.org Published On :: In the complex, the ligand binds to the metal through an oxygen atom. The geometry of the seven-coordinate U atom is pentagonal bipyramidal, with the uranyl O atoms in apical positions. Full Article text
zo Crystal structure and Hirshfeld-surface analysis of an etoxazole metabolite designated R13 By journals.iucr.org Published On :: The crystal structure of a metabolite of the insecticide/acaricide etoxazole, designated R13 is presented along with a Hirshfeld surface analysis of intermolecular interactions present in the crystal structure. Full Article text
zo Crystal structures of two polymorphs for fac-bromidotricarbonyl[4-(4-methoxyphenyl)-2-(pyridin-2-yl)thiazole-κ2N,N']rhenium(I) By journals.iucr.org Published On :: Crystallization of the title compound from CH2Cl2/n-pentane (1:5 v/v) at room temperature gave two polymorphs, which crystallize in monoclinic (P21/c; α form) and orthorhombic (Pna21; β form) space groups. The ReI complex molecules in either polymorph adopt a six-coordinate octahedral geometry with three facially-oriented carbonyl ligands, one bromido ligand, and two nitrogen atoms from one chelating ligand ppt-OMe. In the crystal, both polymorph α and β form di-periodic sheet-like architectures supported by multiple hydrogen bonds. Full Article text
zo Crystal structures of two polymorphs for fac-bromidotricarbonyl[4-(4-methoxyphenyl)-2-(pyridin-2-yl)thiazole-κ2N,N']rhenium(I) By journals.iucr.org Published On :: 2024-11-08 Crystallization of the title compound, fac-[ReBr(ppt-OMe)(CO)3] (ppt-OMe = C15H12N2OS), from CH2Cl2/n-pentane (1:5 v/v) at room temperature gave two polymorphs, which crystallize in monoclinic (P21/c; α form) and orthorhombic (Pna21; β form) space groups. The ReI complex molecules in either polymorph adopt a six-coordinate octahedral geometry with three facially-oriented carbonyl ligands, one bromido ligand, and two nitrogen atoms from one chelating ligand ppt-OMe. In the crystal, both polymorph α and β form di-periodic sheet-like architectures supported by multiple hydrogen bonds. In polymorph α, two types of hydrogen bonds (C—H...O) are found while, in polymorph β, four types of hydrogen bonds (C—H...O and C—H...Br) exist. Full Article text
zo Crystal structure and Hirshfeld-surface analysis of an etoxazole metabolite designated R13 By journals.iucr.org Published On :: 2024-11-08 The etoxazole metabolite R13, systematic name 4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)oxazole (C21H21F2NO2), results from the oxidation of etoxazole, a chitin synthesis inhibitor belonging to the oxazoline class, widely used as an insecticide/acaricide since 1998. The structure of R13 features a central oxazole ring with attached 2,6-difluorophenyl and 4-t-butyl-2-ethoxyphenyl moieties. The overall conformation gives dihedral angles between these rings and the oxazole of 24.91 (5)° (with difluorophenyl) and 15.30 (6)° (with t-butyl-ethoxyphenyl), indicating an overall deviation from planarity. Additionally, torsion angles of the ethoxy and t-butyl groups define the orientation of these substituents relative to their benzene ring. In the crystal packing, no significant hydrogen bonds are present, but a Hirshfeld surface analysis highlights weak intermolecular contacts leading to π–π-stacked dimers linked by weak C—H...N contacts. The packing analysis confirms that most intermolecular interactions involve hydrogen atoms. Full Article text
zo An active piezoelectric plane X-ray focusing mirror with a linearly changing thickness By journals.iucr.org Published On :: 2024-01-01 X-ray mirrors for synchrotron radiation are often bent into a curved figure and work under grazing-incidence conditions due to the strong penetrating nature of X-rays to most materials. Mirrors of different cross sections have been recommended to reduce the mirror's slope inaccuracy and clamping difficulty in order to overcome mechanical tolerances. With the development of hard X-ray focusing, it is difficult to meet the needs of focusing mirrors with small slope error with the existing mirror processing technology. Deformable mirrors are adaptive optics that can produce a flexible surface figure. A method of using a deformable mirror as a phase compensator is described to enhance the focusing performance of an X-ray mirror. This paper presents an active piezoelectric plane X-ray focusing mirror with a linearly changing thickness that has the ability of phase compensation while focusing X-rays. Benefiting from its special structural design, the mirror can realize flexible focusing at different focusing geometries using a single input driving voltage. A prototype was used to measure its performance under one-dimension and two-dimension conditions. The results prove that, even at a bending magnet beamline, the mirror can easily achieve a single-micrometre focusing without a complicated bending mechanism or high-precision surface processing. It is hoped that this kind of deformable mirror will have a wide and flexible application in the synchrotron radiation field. Full Article text
zo Methyl 1-(4-fluorobenzyl)-1H-indazole-3-carboxylate By journals.iucr.org Published On :: 2023-11-23 The title compound, C16H13FN2O2, was synthesized by nucleophilic substitution of the indazole N—H hydrogen atom of methyl 1H-indazole-3-carboxylate with 1-(bromomethyl)-4-fluorobenzene. In the crystal, some hydrogen-bond-like interactions are observed. Full Article text
zo (E)-3-(1,3-Diphenyl-1H-pyrazol-4-yl)-1-(thiazol-2-yl)prop-2-en-1-one By journals.iucr.org Published On :: 2023-11-21 In the title molecule, C21H15N3OS, the C5=C6 double bond in the central enone group adopts a trans configuration. The dihedral angle between planes of the thiazole and pyrazole rings is 6.6 (2)°. In the crystal, pairs of C—H⋯O hydrogen bonds generate inversion dimers and another pair of C—H⋯N hydrogen bonds link the dimers into chains propagating along a-axis direction. Full Article text
zo 5,6-Dimethylbenzo[d][1,3]oxatellurole By journals.iucr.org Published On :: 2024-01-05 The structure of the title compound, C9H10OTe, at 100 K has orthorhombic (P21212) symmetry with two independent molecules in the asymmetric unit (Z' = 2). The molecules are folded along their Te⋯O axes, with their Te–C–O planes angled at an average of 25.1° with respect to the remaining non-H atoms, which are almost coplanar (average deviation from planarity = 0.04 Å). A Hirshfeld plot shows weak intermolecular interactions between the two Te atoms located in each asymmetric molecule, with a Te⋯Te distance of 3.7191 (4) Å. The structure is strongly pseudosymmetric to the space group Pccn with Z' = 1. The crystal chosen for data collection was found to be was an inversion twin. Full Article text
zo Bis[1,3-bis(2,4,6-trimethylphenyl)imidazolium] bis(μ-cis-1,2-diphenylethene-1,2-dithiolato-κ2S,S':κS)bis[(cis-1,2-diphenylethene-1,2-dithiolato-κ2S,S')iron(III)] dimethyl& By journals.iucr.org Published On :: 2023-12-26 The molecular structure of the solvated title salt, (C21H25N2)2[Fe2(C14H10S2)4]·2C3H7NO reveals that the anion is situated on a crystallographic inversion center in the triclinic space group Poverline{1}. The title compound crystallizes utilizing a network of weak π-stacking interactions of phenyl rings pertaining to the dithiolene unit. Moreover, the acidic imidazolium H atoms [N—C(H)—N] display non-classical hydrogen-bonding interactions of the C—H⋯O type to the oxygen atoms of the N,N-dimethyl formamide solvent, and hydrogen atoms on the backbone of imidazolium rings display weak C—H⋯S interactions with the dithiolene sulfur atoms. Full Article text
zo 2-Aminobenzoxazole–oxalic acid (2/1) By journals.iucr.org Published On :: 2024-01-26 In the title compound, 2C7H7N2O+·C2O42−, proton transfer from oxalic acid to the N atom of the heterocycle has occurred to form a 2:1 molecular salt. In the extended structure, N—H⋯O hydrogen bonds link the components into [100] chains, which feature R22(8) and R44(14) loops. Full Article text
zo Synthesis and structure of trans-bis(4-amino-3-nitrobenzoato-κO)bis(4-amino-3-nitrobenzoic acid-κO)diaquamanganese(II) dihydrate By journals.iucr.org Published On :: 2024-01-19 The manganese title complex, [Mn(C7H5N2O4)2(C7H6N2O4)2(H2O)2]·2H2O, is one of the first 4-amino 3-nitrobenzoic acid (4 A3NBA) monoligand metal complexes to be synthesized. It crystallizes in the centrosymmetric monoclinic space group P21/n with the complex molecules located on inversion centers. Four 4 A3NBA ligand molecules are monodentately coordinated by the Mn2+ ion through the carboxylic oxygen atoms while the other two positions of the inner coordination sphere are occupied by water molecules, giving rise to a distorted octahedron, and two water molecules are in the outer coordination sphere. There are two intramolecular hydrogen bonds in the complex molecule. The first is of the common N—H⋯O=N type, while the second is a rarely occurring very strong hydrogen bond in which a common proton is shared by two uncoordinated oxygen atoms of neighboring carboxylate groups. In the crystal, an intricate system of intermolecular hydrogen bonds links the complex molecules into a three-dimensional-network. Full Article text
zo (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
zo Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ3N,N',N'']nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate By journals.iucr.org Published On :: 2024-01-31 In the title complex, [Ni(C19H13N5)2](CF3SO3)2·(CH3CH2)2O, the central NiII atom is sixfold coordinated by three nitrogen atoms of each 2,6-bis(2-benzimidazolyl)pyridine ligand in a distorted octahedral geometry with two trifluoromethanesulfonate ions and a molecule of diethyl ether completing the outer coordination sphere of the complex. Hydrogen bonding contributes to the organization of the asymmetric units in columns along the a axis generating a porous supramolecular structure. The structure was refined as a two-component twin with a refined BASF value of 0.4104 (13). Full Article text
zo Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate By journals.iucr.org Published On :: 2024-02-27 The title compound, C14H12O4, comprises of two crystallographically independent molecules in the asymmetric unit, linked via C—H⋯O interactions to form dimeric entities. The allylic groups are twisted out of the phenyl planes with dihedral angles varying between 7.92 (13) and 25.42 (8)°. In the crystal, the packing follows a zigzag pattern along the c-axis direction. The absolute configuration of the sample could not be determined reliably. Full Article text
zo 4-Fluoro-2-(phenylamino)benzoic acid By journals.iucr.org Published On :: 2024-03-06 The title compound, C13H10FNO2, was obtained by the reaction of 2-bromo-4-fluorobenzoic acid with aniline. There are two independent molecules, A and B, in the asymmetric unit, with slight conformational differences: the dihedral angles between the aromatic rings are 55.63 (5) and 52.65 (5)°. Both molecules feature an intramolecular N—H⋯O hydrogen bond. In the crystal, the molecules are linked by pairwise O—H⋯O hydrogen bonds to form A–B acid–acid dimers and weak C—H⋯F interactions further connect the dimers. Full Article text
zo 5-Bromo-2-(phenylamino)benzoic acid By journals.iucr.org Published On :: 2024-03-06 The title compound, C13H10BrNO2, was obtained by the reaction of 2,5-dibromobenzoic acid and aniline. The molecule is twisted with a dihedral angle between the aromatic rings of 45.74 (11)° and an intramolecular N—H⋯O hydrogen bond is seen. In the crystal, pairwise O—H⋯O hydrogen bonds generate carboxylic acid inversion dimers. Full Article text
zo trans-Dibromidotetrakis(5-methyl-1H-pyrazole-κN2)manganese(II) By journals.iucr.org Published On :: 2024-03-19 The title compound, trans-dibromidotetrakis(5-methyl-1H-pyrazole-κN2)manganese(II), [MnBr2(C4H6N2)4] or [Mn(3-MePzH)4Br2] (1) crystallizes in the triclinic Poverline{1} space group with the cell parameters a = 7.6288 (3), b = 8.7530 (4), c = 9.3794 (4) Å and α = 90.707 (4), β = 106.138 (4), γ = 114.285 (5)°, V = 542.62 (5) Å3, T = 120 K. The asymmetric unit contains only half the molecule with the manganese atom is situated on a crystallographic inversion center. The 3-MePzH ligands are present in an AABB type manner with two methyl groups pointing up and the other two down. The supramolecular architecture is characterized by several intermolecular C—H⋯N, N—H⋯Br, and C—H⋯π interactions. Earlier, a polymorphic structure of [Mn(3-MePzH)4Br2] (2) with a similar geometry and also an AABB arrangement for the pyrazole ligands was described [Reedijk et al. (1971). Inorg. Chem. 10, 2594–2599; a = 8.802 (6), b = 9.695 (5), c = 7.613 (8) Å and α = 105.12 (4), β = 114.98 (4), γ = 92.90 (3)°, V = 558.826 (5) Å3, T = 295 K]. A varying supramolecular pattern was reported, with the structure of 1 featuring a herringbone type pattern while that of structure 2 shows a pillared network type of arrangement along the a axis. A nickel complex [Ni(3-MePzH)4Br2] isomorphic to 1 and the analogous chloro derivatives of FeII, CoII and CuII are also known. Full Article text
zo Bis[2,6-bis(1H-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate By journals.iucr.org Published On :: 2024-03-28 The title compound, [Ru(C19H13N5)2](PF6)2·3C4H10O, was obtained from the reaction of Ru(bimpy)Cl3 [bimpy is 2,6-bis(1H-benzimidazol-2-yl)pyridine] and bimpy in refluxing ethanol followed by recrystallization from diethyl ether/acetonitrile. At 125 K the complex has orthorhombic (Pca21) symmetry. It is remarkable that the structure is almost centrosymmetric. However, refinement in space group Pbcn leads to disorder and definitely worse results. It is of interest with respect to potential catalytic reduction of CO2. The structure displays N—H⋯O, N—H⋯F hydrogen bonding and significant π–π stacking and C—H⋯π stacking interactions. Full Article text
zo 13-Nitrobenzo[a][1,4]benzothiazino[3,2-c]phenoxazine By journals.iucr.org Published On :: 2024-04-26 In the title compound, C22H11N3O3S, dihedral angle between the phenyl rings on the periphery of the molecule is 8.05 (18)°. In the crystal, aromatic π–π stacking distance and short C—H⋯O contacts are observed. The maximum absorption occurs at 688 nm. Full Article text
zo Ethidium benzoate methanol monosolvate By journals.iucr.org Published On :: 2024-04-18 In the title salt solvate (systematic name: 8-amino-5-ethyl-6-phenylphenanthridin-5-ium benzoate methanol monosolvate), C21H20N3+·C6H5CO2−·CH3OH, two ethidium cations, C21H20N3+, dimerize about a twofold axis through π–π interactions [inter-centroid separation = 3.6137 (4) Å]. The benzoate anions are connected through hydrogen bonding with the –NH2 groups of the ethidium cations and the –OH group of the MeOH molecule. The MeOH molecule also accepts a hydrogen bond from the –NH2 group of the ethidium cation. The result is a one-dimensional hydrogen-bonded chain along the b-axis direction. Full Article text
zo mer-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate By journals.iucr.org Published On :: 2024-04-26 In the title compound, [Ni(C13H13N4S)2]·0.33CH3OH·0.67H2O, the NiII atom is coordinated by two tridentate quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonate ligands in a distorted octahedral shape. At 100 K, the crystal symmetry is monoclinic (space group P21/n). A mixture of water and methanol crystallizes with the title complex, and one of the ethyl groups in the coordinating ligands is disordered over two positions, with an occupancy ratio of 58:42. There is intermolecular hydrogen bonding between the solvent molecules and the amine and thiolate groups in the ligands. No other significant interactions are present in the crystal packing. Full Article text
zo Benzo[a][1,4]benzothiazino[3,2-c]phenothiazine By journals.iucr.org Published On :: 2024-04-30 The title compound, C22H12N2S2, crystallizes in space group P21/c with four molecules in the asymmetric unit. The heterocyclic molecule is quasi-planar with a dihedral angle between the phenyl rings on the periphery of the molecule of 1.73 (19)°. Short H⋯S (2.92 Å) and C—H⋯π [2.836 (3) Å] contacts are observed in the crystal with shorted π–π stacking distances of 3.438 (3) Å along the b axis. Surprisingly, and unlike a closely related material, this molecule readily forms large crystals by sublimation and by slow evaporation from dichloromethane. The maximum absorbance in the UV-Vis spectrum is at 533 nm. Emission was measured upon excitation at 533 nm with a fluorescence λmax of 658 nm and cutoff of 900 nm. Full Article text
zo (SC,RS)-Bromido(N-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-N'-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide By journals.iucr.org Published On :: 2024-04-26 The molecule of the title NCNHCS pincer N-heterocyclic carbene palladium(II) complex, [PdBr(C21H25N3S)]Br, exhibits a slightly distorted square-planar coordination at the palladium(II) atom, with the five-membered chelate ring nearly planar. The six-membered chelate ring adopts an envelope conformation. Upon chelation, the sulfur atom becomes a stereogenic centre with an RS configuration induced by the chiral carbon of the precursor imidazolium salt. There are intramolecular C—H⋯Br—Pd hydrogen bonds in the structure. The two interstitial Br atoms, as the counter-anion of the structure, are both located on crystallographic twofold axes and are connected to the complex cations via C—H⋯·Br hydrogen bonds. Full Article text
zo trans-Dichloridobis(secnidazole-κN3)copper(II) By journals.iucr.org Published On :: 2024-05-03 The use of acetic acid (HOAc) in a reaction between CuCl2·2H2O and secnidazole, an active pharmaceutical ingredient useful in the treatment against a variety of anaerobic Gram-positive and Gram-negative bacteria, affords the title complex, [CuCl2(C7H11N3O3)2]. This compound was previously synthesized using ethanol as solvent, although its crystal structure was not reported [Betanzos-Lara et al. (2013). Inorg. Chim. Acta, 397, 94–100]. In the molecular complex, the Cu2+ cation is situated at an inversion centre and displays a square-planar coordination environment. There is a hydrogen-bonded framework based on intermolecular O—H⋯Cl interactions, characterized by H⋯Cl separations of 2.28 (4) Å and O—H⋯Cl angles of 175 (3)°. The resulting supramolecular network is based on R22(18) ring motifs, forming chains in the [010] direction. Full Article text
zo Methyl 2-hydroxy-4-iodobenzoate By journals.iucr.org Published On :: 2024-05-17 The structure of the title compound, C8H7IO3, at 90 K has monoclinic (P21/c) symmetry. The extended structure is layered and displays intermolecular and intramolecular hydrogen bonding arising from the same OH group. Full Article text
zo (2,5-Dimethylimidazole){N,N',N'',N'''-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate By journals.iucr.org Published On :: 2024-06-04 In the title compound, [Mn(C68H44N12O4)(C5H8N2)]·2C6H5Cl, the central MnII ion is coordinated by four pyrrole N atoms of the porphyrin core in the basal sites and one N atom of the 2,5-dimethylimidazole ligand in the apical site. Two chlorobenzene solvent molecules are also present in the asymmetric unit. Due to the apical imidazole ligand, the Mn atom is displaced out of the 24-atom porphyrin mean plane by 0.66 Å. The average Mn—Np (p = porphyrin) bond length is 2.143 (8) Å, and the axial Mn—NIm (Im = 2,5-dimethylimidazole) bond length is 2.171 (8) Å. The structure displays intermolecular and intramolecular N—H⋯O, N—H⋯N, C—H⋯O and C—H⋯N hydrogen bonding. The crystal studied was refined as a two-component inversion twin. Full Article text
zo (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