Search results for "Zole"

showing 10 items of 2482 documents

Crystal structure of bis-(azido-κN)bis[2,5-bis(pyridin-2-yl)-1,3,4-thia-diazole-κ(2) N (2),N (3)]cobalt(II).

2015

The structure of the title compound is isotypic with that of the analogous nickel(II) complex, in which the CoN6 core shows an axially weakly compressed octa­hedral geometry as opposed to the almost regular geometry exhibited by the NiN6 octa­hedron.

crystal structureDenticityStereochemistryπ–π inter­actionsCrystal structuretransition metalResearch Communicationslcsh:Chemistrychemistry.chemical_compoundazide compounds25-bis­(pyridin-2-yl)-134-thia­diazole ligandPyridineGeneral Materials ScienceChemistryLigandGeneral ChemistryCondensed Matter Physicshydrogen bondingCrystallographylcsh:QD1-99925-bis(pyridin-2-yl)-134-thiadiazole ligandπ–π interactionsDiazoleSodium azideAzideTrifluoromethanesulfonateActa crystallographica. Section E, Crystallographic communications
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Crystal structure and Hirshfeld surface analysis of 1-(2,4-dichlorobenzyl)-5-methyl-N-(thiophene-2-sulfonyl)-1H-pyrazole-3-carboxamide

2018

In the title compound, C16H13Cl2N3O3S2, the thiophene ring is disordered in a 0.762 (3):0.238 (3) ratio by an approximate 180° rotation of the ring around the S—C bond linking the ring to the sulfonyl unit. The dichlorobenzene group is also disordered over two sets of sites with the same occupancy ratio. The molecular conformation is stabilized by intramolecular C—H...Cl and C—H...N hydrogen bonds, forming rings with graph-set notation S(5). In the crystal, pairs of molecules are linked by N—H...O and C—H...O hydrogen bonds, forming inversion dimers with graph-set notation R 2 2(8) and R 1 2(11), which are connected by C—H...O hydrogen-bonding interactions into ribbons parallel to (100). Th…

crystal structureDimer1H-pyrazole ringStackingThio-Crystal structurePyrazole010403 inorganic & nuclear chemistryRing (chemistry)01 natural scienceslcsh:Chemistrychemistry.chemical_compoundthiophene ringGeneral Materials ScienceSulfonylchemistry.chemical_classification010405 organic chemistryHydrogen bondChemistrydisorderGeneral ChemistrydimerCondensed Matter Physics0104 chemical sciencesCrystallographylcsh:QD1-999hydrogen-bonding patternsActa Crystallographica Section E Crystallographic Communications
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Crystal structure of bis{μ2-3-(pyridin-2-yl)-5-[(1,2,4-triazol-1-yl)methyl]-1,2,4-triazolato}bis[aquanitratocopper(II)] dihydrate

2016

The title complex is a centrosymmetric dimer with a copper–copper distance of 4.0408 (3) Å. The Cu ions in the dimer are bridged by two triazole rings and oxygen donor ligands from water mol­ecules and nitrate anions in a distorted octa­hedral coordination geometry.

crystal structureDimerTriazoledinuclear copper complexchemistry.chemical_elementCrystal structure010402 general chemistry01 natural sciencesResearch CommunicationsCrystalchemistry.chemical_compound124-triazoleGeneral Materials ScienceCoordination geometryCrystallography010405 organic chemistryHydrogen bond124-TriazoleGeneral ChemistryCondensed Matter PhysicsCopper0104 chemical sciencesCrystallographychemistryQD901-999hydrogen bondsActa Crystallographica Section E: Crystallographic Communications
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Crystal structure and Hirshfeld surface analysis of 2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide

2019

Akkurt, Mehmet/0000-0003-2421-0929; Saylam, Merve/0000-0002-7602-4565

crystal structureHydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter::Mesoscopic Systems and Quantum Hall Effecthydrogen bonding010402 general chemistry010403 inorganic & nuclear chemistryCondensed Matter PhysicsRing (chemistry)01 natural sciences13-benzoxazole ring system0104 chemical scienceslcsh:ChemistryCrystaldimerschemistry.chemical_compoundCrystallographylcsh:QD1-999chemistryHirshfeld surface analysisGeneral Materials ScienceBenzeneAcetamideActa Crystallographica Section E Crystallographic Communications
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N-Methyl-4-(4-nitrophenyl)-N-nitroso-1,3-thiazol-2-amine

2017

The title compound, C10H8N4O3S, is almost planar [dihedral angle between the rings = 2.2 (2)°; r.m.s. deviation for the non-H atoms = 0.050 Å]. In the crystal, C—H...O and C—H...N hydrogen bonds link the molecules into (10-2) layers.

crystal structureHydrogen bondthia­zoleNitrosoCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesMedicinal chemistry0104 chemical sciencesCrystalchemistry.chemical_compoundN-nitro­saminesN-nitrosamineschemistrylcsh:QD901-999NitroAmine gas treatinglcsh:CrystallographyThiazolethiazoleIUCrData
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Ferro- and Antiferromagnetic Interactions in Oxalato-Centered Inverse Hexanuclear and Chain Copper(II) Complexes with Pyrazole Derivatives.

2021

Two novel copper(II) complexes of formulas {[Cu(4-Hmpz)4][Cu(4-Hmpz)2(µ3-ox-κ2O1,O2:κO2′:κO1′)(ClO4)2]}n (1) and {[Cu(3,4,5-Htmpz)4]2[Cu(3,4,5-Htmpz)2(µ3-ox-κ2O1,O2:κO2′:κO1′)(H2O)(ClO4)]2[Cu2(3,4,5-Htmpz)4(µ-ox-κ2O1,O2:κ2O2′,O1′)]}(ClO4)4·6H2O (2) have been obtained by using 4-methyl-1H-pyrazole (4-Hmpz) and 3,4,5-trimethyl-1H-pyrazole (3,4,5-Htmpz) as terminal ligands and oxalate (ox) as the polyatomic inverse coordination center. The crystal structure of 1 consists of perchlorate counteranions and cationic copper(II) chains with alternating bis(pyrazole)(µ3-κ2O1,O2:κO2′:κO1′-oxalato)copper(II) and tetrakis(pyrazole)copper(II) fragments. The crystal structure of 2 is made up of perchlorat…

crystal structurePharmaceutical Sciencechemistry.chemical_elementCrystal structurePyrazoleOxalateArticleAnalytical ChemistryPerchloratechemistry.chemical_compoundQD241-441TheoryofComputation_ANALYSISOFALGORITHMSANDPROBLEMCOMPLEXITYDrug DiscoveryAntiferromagnetismPhysical and Theoretical Chemistrypolynuclear complexesOrganic ChemistryPolyatomic ioninverse coordination chemistryoxalatoCopperpyrazoleCrystallographycoordination polymerschemistryChemistry (miscellaneous)Intramolecular forcecopperMolecular Medicinemagnetic propertiesMolecules (Basel, Switzerland)
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Crystal structure of bis-(2-methyl-1H-imidazole-κN (3))(meso-tetra-p-tol-ylporphyrinato-κ(4) N)iron(III) perchlorate tetra-hydro-furan sesquisolvate.

2016

The crystal structure of the six-coordinate, highly ruffled, ferric porphyrinate bis­(2-methyl­imidazole)[meso-tetra­kis­(p-tol­yl)porphyrinato]iron(III) perchlorate is reported.

crystal structureStereochemistryCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistry2-methylimidazole01 natural sciencesResearch CommunicationsPerchloratechemistry.chemical_compoundhighly ruffled porphyrin coremeso-tetra­kis­(p-tol­yl)porphyrinatoImidazoleGeneral Materials ScienceCrystallography2-methyl­imidazoleLigandHydrogen bondGeneral ChemistryCondensed Matter Physicshydrogen bondingPorphyrinmeso-tetrakis(p-tolyl)porphyrinato0104 chemical sciencesBond lengthCrystallographychemistryQD901-999iron(III)Acta crystallographica. Section E, Crystallographic communications
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Crystal structure of bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ2N2,N3]bis(thiocyanato-κS)copper(II)

2016

The structure of the title compound is similar to that of the related complexes [Co(C12H8N4S)2(N3)2] and [Ni(C12H8N4S)2(N3)2] in which the azide ion is substituted by the thio­cyanate group. The CuN4S2 octa­hedron is more distorted than the CoN6 and NiN6 octa­hedra.

crystal structureStereochemistrychemistry.chemical_elementThio-Crystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesChlorideResearch CommunicationsMetalchemistry.chemical_compoundmedicine25-bis(pyridin-2-yl)-134-thiadiazoleGeneral Materials Sciencecopper complexCoordination geometrythio­cyanate ligandCrystallographyHydrogen bondGeneral Chemistrythiocyanate ligandCondensed Matter PhysicsCopper0104 chemical sciencesCrystallographychemistryQD901-999visual_artvisual_art.visual_art_mediumDiazole25-bis­(pyridin-2-yl)-134-thia­diazolemedicine.drugActa Crystallographica Section E Crystallographic Communications
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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 4-(4-meth-oxy-phen-yl)-4',4'-dimethyl-3-p-tolyl-3',4'-di-hydro-1'H,3H-spiro-[isoxazole-5,2'-naphthalen]-1'-one.

2015

In the title compound, C28H27NO3, the cyclohexanone and isoxazole rings have envelope conformations, with the methylene and spiro C atoms as the flaps, respectively. The mean plane of the isoxazole ring is inclined slightly to thep-tolyl ring, making a dihedral angle of 14.20 (9)°, and is nearly perpendicular to the mean plane through the tetralone moiety and to the methoxyphenyl ring [dihedral angles = 83.41 (8) and 72.12 (9)°, respectively]. The crystal packing is stabilized mainly by van der Waals forces.

crystal structureisoxazoleGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)Data Reportstetra­loneCrystallcsh:ChemistryCrystallographychemistry.chemical_compoundsymbols.namesaketetralonechemistrylcsh:QD1-999TetralonesymbolsMoietyGeneral Materials ScienceIsoxazolevan der Waals forceActa crystallographica. Section E, Crystallographic communications
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