hydra Crystal structure of 1,10-phenanthrolinium violurate violuric acid pentahydrate By journals.iucr.org Published On :: 2024-11-14 The title compound [systematic name: 1,10-phenanthrolinium 6-hydroxy-5-(oxidoimino)-1,3-diazinane-2,4-dione–6-hydroxy-5-(hydroxyimino)-1,3-diazinane-2,4-dione–water (1/1/5)], C12H9N2+·C4H2N3O4−·C4H3N3O4·5H2O, is a co-crystal salt hydrate comprising 1,10-phenanthrolinium cations, violurate anions, free violuric acid as co-former and five water molecules of crystallization per formula unit. The violurate and the violuric acid residues each form distinct N—H...O hydrogen-bonded tapes with a common R22(8) hydrogen-bond motif extending parallel to (103). Solvent water molecules connect the tapes to form a tri-periodic hydrogen-bonded network with channels extending parallel to the a-axis direction, which accommodate the N—H...Owater hydrogen-bonded 1,10-phenanthrolinium cations. Direct N—H...O hydrogen bonds between the 1,10-phenanthrolinium and violurate ions are not encountered. Full Article text
hydra NZ company Transport Hydraulic Solutions sets up in Melbourne By www.invest.vic.gov.au Published On :: Thu, 24 Jul 2014 11:34:00 +1000 New Zealand-based hydraulic equipment specialist, Transport Hydraulic Solutions (THS), has opened a large manufacturing facility in the Melbourne northern suburb of Campbellfield (26.5 km north of the city centre). “A growing number of Melbourne clients are located around this area, and for those who are based further away, our office is right near the freeway where the Western Ring Road and Hume Highway intersect,” said Managing Director of THS, Brenden Lyons. Full Article
hydra South Africans divided on whether ‘starving and dehydrated’ illegal miners should be rescued By www.iol.co.za Published On :: Wed, 13 Nov 2024 17:14:57 GMT Full Article
hydra Origin of site-selectivity of hydrogen atom transfer in carbohydrate C–H alkylations via photoredox catalysis By pubs.rsc.org Published On :: Org. Chem. Front., 2024, 11,2269-2276DOI: 10.1039/D4QO00073K, Research ArticleYujie Ji, Lingfei Hu, Han Gao, Yan-Bo Wu, Xiangying Lv, Gang LuTwo major factors, i.e., C–H σ orbital energy and C–H BDE, account for the HAT site-selectivity of carbohydrates with the quinuclidine radical cation.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
hydra Fluorophore branching boosted photo-induced energy transfer in UiO-66 for ultrasensitive and instant hydrazine sensing By pubs.rsc.org Published On :: J. Mater. Chem. A, 2024, Advance ArticleDOI: 10.1039/D4TA01549E, PaperYing Luo, Da Lei, Maohua Li, Yuansheng Ge, Jiguang Li, Baiyi Zu, Jun Yao, Xincun DouMetal organic frameworks (MOFs) have made great progress in the field of fluorescent sensing; however, whether the electronic structure and recognized sites can be adjusted by external functionalization still remains challenging.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
hydra Muscovite dehydration melting; reaction mechanisms, microstructures, and implications for anatexis By geoscan.nrcan.gc.ca Published On :: Mon, 30 Sep 2019 00:00:00 EDT Dyck, B; Waters, D J; St-Onge, M R; Searle, M P. Journal of Metamorphic Geology 2019 p. 1-24, https://doi.org/10.1111/jmg.12511<a href="https://geoscan.nrcan.gc.ca/images/geoscan/20160157.jpg"><img src="https://geoscan.nrcan.gc.ca/images/geoscan/20160157.jpg" title="Journal of Metamorphic Geology 2019 p. 1-24, https://doi.org/10.1111/jmg.12511" height="150" border="1" /></a> Full Article
hydra Trojan bankowy Hydra znowu w natarciu – nowa kampania By cert.pl Published On :: Tue, 17 Jan 2023 16:30:00 +0100 Ostrzegamy - szkodliwe oprogramowanie z rodziny Hydra ponownie aktywne. Jako cel obiera dane logowania do aplikacji bankowych na systemach Android. Full Article zagrożenia aktualne zagrożenia
hydra Dehydration in Adults & Children By www.medicinenet.com Published On :: Wed, 8 Dec 2021 00:00:00 PDT Title: Dehydration in Adults & ChildrenCategory: Diseases and ConditionsCreated: 12/31/1997 12:00:00 AMLast Editorial Review: 12/8/2021 12:00:00 AM Full Article
hydra Difference Between Refined and Unrefined Carboyhydrates By www.popularfitness.com Published On :: July 28, 2011 About the difference between carboyhydrates and how fiber can detox your body. Full Article
hydra Building the Hydra Together: Enhancing Repository Provision through Multi-Institution Collaboration By jodi-ojs-tdl.tdl.org Published On :: Thu, 08 Mar 2012 00:00:00 -0600 In 2008 the University of Hull, Stanford University and University of Virginia decided to collaborate with Fedora Commons (now DuraSpace) on the Hydra project. This project has sought to define and develop repository-enabled solutions for the management of multiple digital content management needs that are multi-purpose and multi-functional in such a way as to allow their use across multiple institutions. This article describes the evolution of Hydra as a project, but most importantly as a community that can sustain the outcomes from Hydra and develop them further. The data modelling and technical implementation are touched on in this context, and examples of the Hydra heads in development or production are highlighted. Finally, the benefits of working together, and having worked together, are explored as a key element in establishing a sustainable open source solution. Full Article Articles Hydra collaboration community partners roles responsibilities Digital Libraries Digital Repositories Scholarly Communication Information Management
hydra Hydration pack pressure pump By www.safetyandhealthmagazine.com Published On :: Sun, 27 Sep 2015 00:00:00 -0400 Compatible with all Chill-Its Hydration Packs, the Chill-Its 5158 Hydration Pack Pressure Pump draws water from the hydration pack, creating a quick, pressurized stream of water. Full Article
hydra BSEE issues alert on hydraulic torque wrench operations By www.safetyandhealthmagazine.com Published On :: Wed, 15 Mar 2023 00:00:00 -0400 Washington — In response to the death of a drillship worker who lacked formal training on using a hydraulic torque wrench, the Bureau of Safety and Environmental Enforcement has issued a safety alert. Full Article
hydra Is farmworker dehydration a widespread issue? By www.safetyandhealthmagazine.com Published On :: Wed, 10 Apr 2024 00:00:00 -0400 Chicago — A recent study of Florida farmworkers found that virtually all of them experienced dehydration at the end of their shift, and more than half were still dehydrated the next morning. Full Article
hydra ‘Keeping Workers Well-Hydrated’: New tip sheet from OSHA By www.safetyandhealthmagazine.com Published On :: Fri, 06 Oct 2023 00:00:00 -0400 Washington — Ensuring workers are properly hydrated is essential for preventing heat-related illnesses, OSHA is reminding employers. Full Article
hydra Insulated hydraulic cutting and crimper line By www.safetyandhealthmagazine.com Published On :: Sun, 26 Jan 2020 00:00:00 -0500 The Greenlee Gator Insulated Series of cutters and crimpers can help protect workers from up to 1,000 volts. Full Article
hydra Worker hydration By www.safetyandhealthmagazine.com Published On :: Mon, 29 Jun 2015 00:00:00 -0400 How much hydration is enough? Full Article
hydra Keep workers hydrated By www.safetyandhealthmagazine.com Published On :: Tue, 23 Apr 2024 00:00:00 -0400 Proper hydration is essential for preventing heat-related illnesses. Full Article
hydra Hydraulic tilt tables By www.safetyandhealthmagazine.com Published On :: Mon, 25 Apr 2016 00:00:00 -0400 Using either Standard or Wide-Base Hydraulic Tilt Tables increases operator ergonomics and productivity. Full Article
hydra Hydrate for good health By www.safetyandhealthmagazine.com Published On :: Tue, 21 Feb 2023 00:00:00 -0500 Want to live a longer and healthier life? Stay well-hydrated, say researchers from the National Heart, Lung and Blood Institute. Full Article
hydra Stay hydrated when working in the heat By www.safetyandhealthmagazine.com Published On :: Sun, 23 Jul 2023 00:00:00 -0400 Working outdoors in the heat puts you at risk of becoming dehydrated. But what exactly does that mean? Full Article
hydra Hydraulic lift tables By www.safetyandhealthmagazine.com Published On :: Sun, 29 Jul 2018 00:00:00 -0400 The MLT Series of heavy-duty hydraulic lift tables are designed to handle loads up to 120,000 pounds (96,000 pounds end/side capacity). Full Article
hydra WTRMLN Brand Ultra-Hydrating Lemonade By www.preparedfoods.com Published On :: Wed, 26 Jun 2024 05:00:00 -0400 With the launch of the new line, WTRMLN® doubles down on its unique positioning as the authority on watermelon and all its hydrating benefits. Full Article
hydra Gatorade Hydration Booster Electrolyte Powder By www.preparedfoods.com Published On :: Sun, 20 Oct 2024 11:00:00 -0400 With an advanced blend of electrolytes from watermelon juice, sea salt, sodium citrate and potassium salt, Gatorade Hydration Booster is backed by the Gatorade Sports Science Institute for all-day hydration. Full Article
hydra Tecton Ketone Hydration By www.preparedfoods.com Published On :: Wed, 03 May 2023 07:00:00 -0400 The non-carbonated beverage is sugar- and caffeine-free, and contains 10g of exogenous ketones, which fuel human cells more efficiently than glucose (sugar). Full Article
hydra Rebellious Kids Healthy Hydration for Children By www.preparedfoods.com Published On :: Wed, 16 Aug 2023 07:15:00 -0400 Rebellious Kids is an organic, plant-based plus minerals beverage, that delivers key nutritional support children need with no sugar. Full Article
hydra BODYARMOR Flash I.V. Hydration Boosters By www.preparedfoods.com Published On :: Wed, 18 Oct 2023 06:15:00 -0400 Designed to deliver the latest in active hydration and functionality for consumers on-the-go, BODYARMOR's new Flash I.V. Hydration Boosters offer the ability to refuel and replenish with more than 2200mg of essential electrolytes. Full Article
hydra DripDrop Hydration Zero Sugar Variety Pack By www.preparedfoods.com Published On :: Wed, 28 Feb 2024 06:00:00 -0500 DripDrop®, the electrolyte drink mix that offers a fast way to hydrate, announced the launch of three new offerings for its Zero Sugar lineup: Zero Sugar Peach, Zero Sugar Watermelon, and a 4 flavor Zero Sugar Variety Pack. Full Article
hydra Tailwind Nutrition Rapid Hydration Drink Mix By www.preparedfoods.com Published On :: Sat, 13 Apr 2024 05:00:00 -0400 Rapid Hydration electrolyte powder can be used before, during, and after workouts in order to keep the body's hydration balanced. It can also be consumed during periods of illness when your body is losing fluids, or even post-late night to feel better in the morning. Full Article
hydra Liquid I.V. 'Yummy' Hydration Multiplier Flavor By www.preparedfoods.com Published On :: Wed, 29 Jul 2020 06:00:00 -0400 Inspired by the platinum hit song "Yummy," Liquid I.V. crafted a Guava Hibiscus version of its flagship product, Hydration Multiplier. With each sip of this drink mix, consumers can taste juicy pink guava and just a hint of hibiscus. Full Article
hydra ROAR Organic Strawberry Lemonade Complete Hydration Beverage, Plus Powders By www.preparedfoods.com Published On :: Wed, 22 Mar 2023 06:00:00 -0400 Strawberry Lemonade, the latest flavor of their functional hydration and wellness beverages, brings a refreshingly sweet and mildly tart addition to the core Complete Hydration™ beverage line. Full Article
hydra Electrolit Hydration Beverage Mango Flavor By www.preparedfoods.com Published On :: Wed, 12 Jul 2023 07:00:00 -0400 Each 21fl-oz serving of Electrolit contains 326mg of electrolytes alongside real glucose- a natural source of energy that boosts the body's recovery from dehydration. Full Article
hydra New Beverages Prioritize Hydration for On-the-Go Consumers By www.preparedfoods.com Published On :: Tue, 15 Oct 2024 06:15:00 -0400 From electrolyte-packed drinks to sustainable hydration solutions, brands introduce innovative products designed to keep consumers refreshed and replenished. Full Article
hydra Dehydrated Fruit Processor Zarecki turns to Key Technology for Vibratory Conveyor System By www.foodengineeringmag.com Published On :: Wed, 10 Apr 2024 09:39:00 -0400 While expanding production with a new line that sweetens and dehydrates different types of berries, Zarecki turned to Key Technology for a vibratory conveyor system with five Impulse shakers. Full Article
hydra Drop-in Replacement Stainless Steel Hydraulic Cylinders By www.foodengineeringmag.com Published On :: Tue, 12 Nov 2024 09:57:57 -0500 The cylinders are a direct drop-in replacement for both PFI equipment and that from other OEMs. Full Article
hydra Crystal structure of the incommensurate modulated high-pressure phase of the potassium guaninate monohydrate By journals.iucr.org Published On :: Incommensurate phase of potassium guaninate monohydrate is the first example of a modulation in purine derivatives and of a high-pressure incommensurate crystal structure to be solved for an organic compound. Full Article text
hydra From `crystallographic accuracy' to `thermodynamic accuracy': a redetermination of the crystal structure of calcium atorvastatin trihydrate (Lipitor®) By journals.iucr.org Published On :: The crystal structure of calcium atorvastatin trihydrate was redetermined from previously published synchrotron powder diffraction data to give a much-improved agreement with two independent density-functional theory calculations. Full Article text
hydra Crystal structure and compressibility of magnesium chloride heptahydrate found under high pressure By journals.iucr.org Published On :: In-situ diffraction measurements reveal that magnesium chloride forms a unique high-pressure phase, a heptahydrate, above 2 GPa. The hydrogen-bonding structure appears to contain orientational disorder. Full Article text
hydra Crystal structure and compressibility of magnesium chloride heptahydrate found under high pressure By journals.iucr.org Published On :: 2024-10-21 The odd hydration number has so far been missing in the water-rich magnesium chloride hydrate series (MgCl2·nH2O). In this study, magnesium chloride heptahydrate, MgCl2·7H2O (or MgCl2·7D2O), which forms at high pressures above 2 GPa and high temperatures above 300 K, has been identified. Its structure has been determined by a combination of in-situ single-crystal X-ray diffraction at 2.5 GPa and 298 K and powder neutron diffraction at 3.1 GPa and 300 K. The single-crystal specimen was grown by mixing alcohols to prevent nucleation of undesired crystalline phases. The results show orientational disorder of water molecules, which was also examined using density functional theory calculations. The disorder involves the reconnection of hydrogen bonds, which differs from those in water ice phases and known disordered salt hydrates. Shrinkage by compression occurs mainly in one direction. In the plane perpendicular to this most compressible direction, oxygen and chlorine atoms are in a hexagonal-like arrangement. Full Article text
hydra From `crystallographic accuracy' to `thermodynamic accuracy': a redetermination of the crystal structure of calcium atorvastatin trihydrate (Lipitor®) By journals.iucr.org Published On :: 2024-10-08 With ever-improving quantum-mechanical computational methods, the accuracy requirements for experimental crystal structures increase. The crystal structure of calcium atorvastatin trihydrate, which has 56 degrees of freedom when determined with a real-space algorithm, was determined from powder diffraction data by Hodge et al. [Powder Diffr. (2020), 35, 136–143]. The crystal structure was a good fit to the experimental data, indicating that the electron density had been captured essentially correctly, but two independent quantum-mechanical calculations disagreed with the experimental structure and with each other. Using the same experimental data, the crystal structure was redetermined from scratch and it was shown that it can be reproduced within a root-mean-square Cartesian displacement of 0.1 Å by two independent quantum-mechanical calculations. The consequences for the calculated energies and solubilities are described. Full Article text
hydra Crystal structure of the incommensurate modulated high-pressure phase of the potassium guaninate monohydrate By journals.iucr.org Published On :: 2024-10-08 The crystal structure of the incommensurate modulated phase of potassium guaninate monohydrate has been solved on the basis of high-pressure single-crystal X-ray diffraction data. The modulated structure was described as a `mosaic' sequence of three different local configurations of two neighbouring guaninate rings. In contrast to known examples of incommensurate modulated organic compounds, the modulation functions of all atoms are discontinuous. This is the first example of the experimental detection of an incommensurate modulated crystal structure that can be modelled using the special `soliton mode' modulation function proposed by Aramburu et al. [(1995), J. Phys. Condens. Matter, 7, 6187–6196]. Full Article text
hydra Crystal structures of three uranyl–acetate–bipyridine complexes crystallized from hydraulic fracking fluid By journals.iucr.org Published On :: 2024-01-01 Hydraulic fracking exposes shale plays to acidic hydraulic fracking fluid (HFF), releasing toxic uranium (U) along with the desired oil and gas. With no existing methods to ensure U remains sequestered in the shale, this study sought to add organic ligands to HFF to explore potential U retention in shale plays. To test this possibility, incubations were set up in which uranyl acetate and one organic bipyridine ligand (either 2,2'-, 2,3'-, 2,4'-, or 4,4'-bipyridine) were added to pristine HFF as the crystallization medium. After several months and complete evaporation of all volatiles, bulk yellow crystalline material was obtained from the incubations, three of which yielded crystals suitable for single-crystal analysis, resulting in two novel structures and a high-quality structure of a previously described compound. The UO2VI acetate complexes bis(acetato-κ2O,O')(2,2'-bipyridine-κ2N,N')dioxidouranium(VI), [U(C2H3O2)2O2(C10H8N2)2] or [2,2'-bipyridine]UVIO2(CH3CO2)2, (I), and bis(acetato-κ2O,O')(2,4'-bipyridine-κN1')dioxidouranium(VI), [U(C2H3O2)2O2(C10H8N2)2] or [2,4'-bipyridine]2UVIO2(CH3CO2)2, (III), contain eight-coordinate UVI in a pseudo-hexagonal bipyramidal coordination geometry and are molecular, packing via weak C—H...O/N interactions, whereas catena-poly[bis(2,3'-bipyridinium) [di-μ-acetato-μ3-hydroxido-μ-hydroxido-di-μ3-oxido-hexaoxidotriuranium(VI)]–2,3'-bipyridine–water (1/1/1)], (C10H9N2)2[U3(C2H3O2)2O8(OH)2]·C10H8N2·H2O or {[2,3'-bipyridinium]2[2,3'-bipyridine][(UVIO2)3(O)2(OH)2(CH3CO2)2·H2O]}n, (II), forms an ionic one-dimensional polymer with seven-coordinate pentagonal bipyramidal UVI centers and hydrogen-bonding interactions within each chain. The formation of these crystals could indicate the potential for bipyridine to bind with U in shale during fracking, which will be explored in a future study via ICP-MS (inductively coupled plasma mass spectrometry) analyses of U concentration in HFF/bipyridine/shale incubations. The variation seen here between the molecular structures may indicate variance in the ability of bipyridine isomers to form complexes with U, which could impact their ability to retain U within shale in the context of fracking. Full Article text
hydra Online carbohydrate 3D structure validation with the Privateer web app By journals.iucr.org Published On :: 2024-01-24 Owing to the difficulties associated with working with carbohydrates, validating glycan 3D structures prior to deposition into the Protein Data Bank has become a staple of the structure-solution pipeline. The Privateer software provides integrative methods for the validation, analysis, refinement and graphical representation of 3D atomic structures of glycans, both as ligands and as protein modifiers. While Privateer is free software, it requires users to install any of the structural biology software suites that support it or to build it from source code. Here, the Privateer web app is presented, which is always up to date and available to be used online (https://privateer.york.ac.uk) without installation. This self-updating tool, which runs locally on the user's machine, will allow structural biologists to simply and quickly analyse carbohydrate ligands and protein glycosylation from a web browser whilst retaining all confidential information on their devices. Full Article text
hydra Crystal structure of 1,10-phenanthrolinium violurate violuric acid pentahydrate By journals.iucr.org Published On :: The crystal structure of the co-crystal salt solvate 1,10-phenanthrolinium violurate violuric acid pentahydrate features a tri-periodic hydrogen-bonded network with the violurate and violuric acid residues each assembled into tapes and the phenanthrolinium cations residing in channels. Full Article text
hydra 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
hydra 2-{1-[(6R,S)-3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-N-methylhydrazinecarbothioamide By journals.iucr.org Published On :: 2023-11-30 The reaction between a racemic mixture of (R,S)-fixolide and 4-methylthiosemicarbazide in ethanol with a 1:1 stoichiometric ratio and catalysed with HCl, yielded the title compound, C20H31N3S [common name: (R,S)-fixolide 4-methylthiosemicarbazone]. There is one crystallographically independent molecule in the asymmetric unit, which is disordered over the aliphatic ring [site-occupancy ratio = 0.667 (13):0.333 (13)]. The disorder includes the chiral C atom, the neighbouring methylene group and the methyl H atoms of the methyl group bonded to the chiral C atom. The maximum deviations from the mean plane through the disordered aliphatic ring amount to 0.328 (6) and −0.334 (6) Å [r.m.s.d. = 0.2061 Å], and −0.3677 (12) and 0.3380 (12) Å [r.m.s.d. = 0.2198 Å] for the two different sites. Both fragments show a half-chair conformation. Additionally, the N—N—C(=S)—N entity is approximately planar, with the maximum deviation from the mean plane through the selected atoms being 0.0135 (18) Å [r.m.s.d. = 0.0100 Å]. The molecule is not planar due to the dihedral angle between the thiosemicarbazone entity and the aromatic ring, which amounts to 51.8 (1)°, and due to the sp3-hybridized carbon atoms of the fixolide fragment. In the crystal, the molecules are connected by H⋯S interactions with graph-set motif C(4), forming a mono-periodic hydrogen-bonded ribbon along [100]. The Hirshfeld surface analysis suggests that the major contributions for the crystal cohesion are [(R,S)-isomers considered separately] H⋯H (75.7%), H⋯S/S⋯H (11.6%), H⋯C/C⋯H (8.3% and H⋯N/N⋯H (4.4% for both of them). Full Article text
hydra Tetraaqua(ethane-1,2-diamine-κ2N,N')nickel(II) naphthalene-1,5-disulfonate dihydrate By journals.iucr.org Published On :: 2023-12-14 The reaction of ethane-1,2-diamine (en, C2H8N2), the sodium salt of naphthalene-1,5-disulfonic acid (H2NDS, C10H8O6S2), and nickel sulfate in an aqueous solution resulted in the formation of the title salt, [Ni(C2H8N2)(H2O)4](C10H6O6S2)·2H2O or [Ni(en)(H2O)4](NDS)·2H2O. In the asymmetric unit, one half of an [Ni(en)(H2O)4]2+ cation and one half of an NDS2− anion, and one water molecule of crystallization are present. The Ni2+ cation in the complex is positioned on a twofold rotation axis and exhibits a slight tetragonal distortion of the cis-NiO4N2 octahedron, with an Ni—N bond length of 2.0782 (16) Å, and Ni—O bond lengths of 2.1170 (13) Å and 2.0648 (14) Å. The anion is completed by inversion symmetry. In the extended structure, the cations, anions, and non-coordinating water molecules are connected by intermolecular N—H⋯O and O—H⋯O hydrogen bonding, as well as C—H⋯π interactions, forming a three-dimensional network. Full Article text
hydra 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
hydra 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
hydra 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
hydra Bis(2-hydroxy-2,3-dihydro-1H-inden-1-aminium) tetrachloridopalladate(II) hemihydrate By journals.iucr.org Published On :: 2024-01-26 A new square-planar palladium complex salt hydrate, (C9H12NO)2[PdCl4]·0.5H2O, has been characterized. The asymmetric unit of the complex salt comprises two [PdCl4]2− dianions, four 2-hydroxy-2,3-dihydro-1H-inden-1-aminium cations, each derived from (1R,2S)-(+)-1-aminoindan-2-ol, and one water molecule of crystallization. In the crystal, a two-dimensional layer parallel to (001) features a number of O—H⋯O, N—H⋯O, O—H⋯Cl and N—H⋯Cl hydrogen bonds. Full Article text