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showing 10 items of 16762 documents

Crystal structure of 2-hy­droxy­imino-2-(pyridin-2-yl)-N'-[1-(pyridin-2-yl)ethyl­idene]acetohydrazide

2014

The mol­ecule of the title compound is approximately planar with the planes of the two pyridine rings inclined to one another by 5.51 (7)°. In the crystal, mol­ecules are linked by bifurcated O—H⋯(O,N) hydrogen bonds, forming inversion dimers, which are in turn linked via C—H⋯O and C—H⋯N hydrogen bonds, forming sheets lying parallel to (502).

crystal structureacetohydrazidehy­droxy­iminoStackingpyridylethylideneCrystal structureRing (chemistry)Research CommunicationsCrystalchemistry.chemical_compoundAmideπ–π stacking interactionsPyridineGeneral Materials Scienceta116CrystallographyChemistryHydrogen bondGeneral ChemistryCondensed Matter PhysicsOximehydrogen bondingCrystallographyQD901-999π–π stacking inter­actionshydroxyiminopyridyl­ethyl­ideneActa Crystallographica Section E : Structure Reports Online
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Crystal structure ofN′-diphenylmethylidene-5-methyl-1H-pyrazole-3-carbohydrazide

2015

In the title compound, C18H16N4O, the planes of the phenyl rings are approximately perpendicular to each other [dihedral angle = 78.07 (8)°] and form dihedral angles of 56.43 (8) and 24.59 (8)° with the pyrazole ring. In the crystal, molecules are linked by N—H...O hydrogen bonds to form one-dimensional chains parallel to the [010] direction.

crystal structureagrochemical applicationsHydrogen bondbiological activityGeneral ChemistryCrystal structureDihedral anglePyrazoleCondensed Matter PhysicsHydrazideRing (chemistry)Data Reportslcsh:ChemistryCrystalchemistry.chemical_compoundCrystallographylcsh:QD1-999chemistryPerpendicularGeneral Materials Sciencepyrazole derivativespharmaceutical applicationsActa Crystallographica Section E Crystallographic Communications
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Crystal structure of allyl­ammonium hydrogen succinate at 100 K

2014

The asymmetric unit of the title compound, C2H8N+·C4H5O4−, consists of two allylammonium cations and two hydrogen succinate anions (Z′ = 2). One of the cations has a near-perfectsyn-periplanar (cis) conformation with an N—C—C—C torsion angle of 0.4 (3)°, while the other is characterized by agaucheconformation and a torsion angle of 102.5 (3)°. Regarding the anions, three out of four carboxilic groups are twisted with respect to the central C–CH2–CH2–C group [dihedral angles = 24.4 (2), 31.2 (2) and 40.4 (2)°], the remaining one being instead almost coplanar, with a dihedral angle of 4.0 (2)°. In the crystal, there are two very short, near linear O—H...O hydrogen bonds between anions, with t…

crystal structureallylammoniumHydrogenHydrogen bondchemistry.chemical_elementGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicssuccinateData Reportslcsh:ChemistryCrystalchemistry.chemical_compoundCrystallographylcsh:QD1-999chemistryallyl­ammoniumGroup (periodic table)hydrogen bondsGeneral Materials ScienceAmmoniumActa Crystallographica Section E: Structure Reports Online
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Synthesis, spectroscopic study, and crystal structure of a new organotin(IV) selenate derivative

2018

Abstract The polymeric organotin(IV) selenate complex [(Me3Sn)3(SeO4)(OH)]n (1) has been isolated as single crystals from the reaction of [(Me2NH2)2SeO4] and Me3SnCl in methanol. In the solid state, compound 1 was characterized by X-ray diffraction analysis, Fourier transform-infrared spectroscopy, and elemental analysis. 1 crystallizes in the orthorhombic system space group Pbca with a=11.0231(2) Å, b=16.3461(3) Å, c=20.9945(4) Å, α=β=γ=90°, V=3782.89(12) Å3, and Z=8. Its structure can be described as a polymeric zigzag chain based on Me3Sn moieties linked by tridentate selenate anions. Pendant (Me3Sn)2OH groups are also connected to the chain, according to a syndiotactic organization, and…

crystal structurechemistry.chemical_elementCrystal structureorganotin(iv)010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesSelenateoxoanionschemistry.chemical_compoundComputational chemistryMaterials Chemistry[CHIM]Chemical Sciences[CHIM.COOR]Chemical Sciences/Coordination chemistryseleniumQD1-999ComputingMilieux_MISCELLANEOUSMetals and AlloysGeneral ChemistryCondensed Matter Physics0104 chemical sciencesChemistrychemistrysn-o-se moietySeleniumDerivative (chemistry)Main Group Metal Chemistry
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Crystal structure of cis-bis­(μ-β-alanine-κ2 O:O′)bis[tri­chlorido­rhenium(III)](Re–Re) sesquihydrate

2015

A dirhenium(III) cis-di­carboxyl­ate complex is reported, which is representative of a small class of zwitterionic ammonia­carboxyl­ato complexes involving a quadruple metal–metal bond.

crystal structurechemistry.chemical_elementCrystal structurerheniumChlorideIonResearch CommunicationsCrystallcsh:Chemistryquadruple metal–metal bondmedicineMoleculeGeneral Materials ScienceclusterAlanineLigandGeneral ChemistryRheniumCondensed Matter PhysicsCrystallographychemistrylcsh:QD1-999β-alaninezwitterionic ammonia­carboxyl­ato complexzwitterionic ammoniacarboxylato complexmedicine.drugActa Crystallographica Section E: Crystallographic Communications
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Crystal structure of di-μ-isobutyrato-κ(4) O:O'-bis-[cis-di-chlorido-(dimethyl sulfoxide-κS)rhenium(III)].

2015

A binuclear bis­(carboxyl­ato)dirhenium(III) complex is reported. The compound is a representative of a small class of alkyl­carboxyl­ate complexes involving a quadruple metal–metal bonds

crystal structurechemistry.chemical_elementNanotechnologyCrystal structureChlorideIonResearch CommunicationsCrystalchemistry.chemical_compoundquadruple metal–metal bondalkylcarboxylate complexmedicineCluster (physics)General Materials ScienceclusterCrystallographyDimethyl sulfoxideHydrogen bondGeneral ChemistryRheniumCondensed Matter Physicshydrogen bondingrhenium(III)CrystallographychemistryQD901-999alkyl­carboxyl­ate complexmedicine.drugActa crystallographica. Section E, Crystallographic communications
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Crystal structure of chlorido(2-{[2-(4-chlorophenyl)hydrazin-1-ylidene-κN1](phenyl)methyl}pyridine-κN)(η5-pentamethylcyclopentadienyl)iridium(III) te…

2015

The title compound, [Ir(η5-C5Me5)Cl(C18H14ClN3)]B(C6H5)4, is chiral at the metal center and crystallizes as a racemate. In the cation, the hydrazinylidenepyridine ligand isN,N-coordinated through theN-pyridyl andN-hydrazinylidene groups forming a five-membered metallacycle. An intramolecular C—H...Cl hydrogen bond is observed. In the crystal, centrosymmetrically-related cations are connected by C—Cl...π interactions, forming a dimeric structure. The crystal packing is further stabilized by weak interionic C—H...π interactions.

crystal structurechemistry.chemical_elementNanotechnologyCrystal structureC—H⋯π inter­actionsintramolecular C—H...Cl hydrogen bondMedicinal chemistryhydrazinyl­idene­pyridine ligandpenta­methyl­cyclo­penta­dien­ylMetallcsh:Chemistrychemistry.chemical_compoundC—H...π interactionsPyridineGeneral Materials SciencepentamethylcyclopentadienylIridiumC—Cl...π interactionsbiologyLigandHydrogen bondintra­molecular C—H⋯Cl hydrogen bondiridium(III) complexGeneral ChemistryMetallacycleCondensed Matter Physicsbiology.organism_classificationData Reportshydrazinylidenepyridine ligandchemistrylcsh:QD1-999visual_artC—Cl⋯π inter­actionsvisual_art.visual_art_mediumTetraActa Crystallographica Section E: Crystallographic Communications
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Synthesis, crystal structure and Hirshfeld analysis of a crystalline compound comprising a 1/1 mixture of 1-[(1R,4S)- and 1-[(1S,4R)-1,7,7-trimethyl-…

2020

A racemic mixture of (R)- and (S)-camphor thio­semicarbazone, which crystallizes in the centrosymmetric space group C2/c, is reported.

crystal structurechiral thiosemicarbazonechiral thio­semicarbazonecamphor derivativeThio-Crystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch Communicationsracemic mixtureCrystalchemistry.chemical_compoundGroup (periodic table)AmideGeneral Materials ScienceCrystallographyChemistryGeneral ChemistryCondensed Matter Physics0104 chemical sciencesCrystallographyAsymmetric carbonQD901-999Racemic mixtureChirality (chemistry)Acta Crystallographica Section E: Crystallographic Communications
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Crystal structure of 2-methyl-1H-imidazol-3-ium hydrogen oxalate dihydrate

2016

In the title mol­ecular salt 2-methyl-1H-imidazol-3-ium hydrogen oxalate dihydrate, N—H⋯(O,O) and O—H⋯O hydrogen bonds link the components into a bilayer-like assembly.

crystal structurecrystal structure organic salt monosubstituted imidazolium hydrogen oxalate hydrogen bonds monohydrateHydrogenOxalic acidInorganic chemistrychemistry.chemical_elementSalt (chemistry)Crystal structuremonosubstituted imidazolium010402 general chemistry010403 inorganic & nuclear chemistry[ CHIM ] Chemical Sciences01 natural sciencesOxalateResearch Communicationslaw.inventionCrystalchemistry.chemical_compoundlawmonohydrate[CHIM.CRIS]Chemical Sciences/Cristallography[CHIM]Chemical SciencesGeneral Materials ScienceCrystallizationComputingMilieux_MISCELLANEOUSchemistry.chemical_classificationCrystallographyHydrogen bondGeneral ChemistryCondensed Matter Physics0104 chemical sciences3. Good healthCrystallographychemistryQD901-999hydrogen bondsorganic salthydrogen oxalateActa Crystallographica Section E Crystallographic Communications
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Intramolecular 1,5-S...N σ-hole interaction in (E)-N′-(pyridin-4-ylmethylidene)thiophene-2-carbohydrazide

2020

The hydrazide-hydrazone forms inverse dimers via hydrogen bonding, but its conformation is defined by the presence of an intra­molecular chalcogen bond. Electrostatic forces dominate in the crystal packing and give rise to a layered supra­molecular structure.

crystal structurehirshfeld surfaceDouble bondImineStackingCrystal structureCarbohydrazide010402 general chemistryRing (chemistry)01 natural sciencesResearch Communicationsenergy frameworkslcsh:Chemistrychemistry.chemical_compoundchalcogen bondingGeneral Materials Sciencechemistry.chemical_classificationQuantitative Biology::Biomoleculesintermolecular interaction energies010405 organic chemistryHydrogen bondGeneral Chemistryinter­molecular inter­action energieshydrogen bondingCondensed Matter Physics4-pyridinecarboxaldehyde 2-thienyl hydrazone0104 chemical sciencesCrystallographylcsh:QD1-999chemistry4-pyridine­carboxaldehyde 2-thienyl hydrazoneMonoclinic crystal systemActa Crystallographica Section E Crystallographic Communications
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