0000000000397340

AUTHOR

Alvis Zvirgzdins

showing 3 related works from this author

Structure determination of three polymorphs of xylazine from laboratory powder diffraction data

2014

The crystal structures of three xylazine hydrochloride [N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiaz-2-amine hydrochloride] polymorphsA,ZandXhave been solved from powder diffraction data and refined using Rietveld refinement. Data were obtained with Cu Kα radiation. All polymorphs were found to have structures withZ′ = 1 andZ= 4. All the structures determined contained strong hydrogen bonds between the amino groups and chloride anions. The crystal structures of formsAandXfeatured π–π stacking interactions.

Rietveld refinementHydrogen bondChemistryHydrochlorideMetals and AlloysStackingCrystal structureChlorideAtomic and Molecular Physics and OpticsElectronic Optical and Magnetic Materialschemistry.chemical_compoundCrystallographyPolymorphism (materials science)Materials ChemistrymedicinePowder diffractionmedicine.drugActa Crystallographica Section B Structural Science, Crystal Engineering and Materials
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Pimobendan B from powder diffraction data

2013

The title molecule, C19H18N4O2{systematic name: (RS)-6-[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]-5-methyl-4,5-dihydropyridazin-3(2H)-one}, adopts an extended conformation. The dihedral angles between the central benzimidazole ring sytem and the pendant methoxyphenyl and pyridazinone residues are 1.41 (18) and 9.7 (3)°, respectively. In the crystal, N—H...N hydrogen bonds link the imadazole groups into [001] chains, and pairs of N—H...O hydrogen bonds link the pyridazinone groups into dimers. Together, these generate a two-dimensional supramolecular structure parallel to (010). The layers are linked by C—H...π interactions.

BenzimidazoleCrystallographyHydrogen bondGeneral ChemistryDihedral angleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic PapersCrystalchemistry.chemical_compoundCrystallographychemistryQD901-999General Materials SciencePowder diffractionActa Crystallographica Section E Structure Reports Online
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7-[(3-Chloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acidS,S-dioxide hydrochloride

2012

In the title compound, C(21)H(26)ClN(2)O(4)S(.)Cl, also known as tianeptine hydro-chloride, the seven-membered ring adopts a boat conformation. The dihedral angle between the mean planes of the benzene rings is 44.44 (7)°. There is an intra-molecular hydrogen bond formed via S= O⋯H-N. In the crystal, mol-ecules are connected via pairs of N-H.·O, N-H⋯Cl and O-H⋯Cl hydrogen bonds, forming inversion dimers, which are consolidated by C-H⋯O inter-actions. The dimers are linked by C-H⋯O and C-H⋯Cl inter-actions, forming a two-dimensional network lying parallel to (011).

Hydrogen bondCyclohexane conformationGeneral ChemistryDihedral angleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic PapersMedicinal chemistryChlorideCrystalchemistry.chemical_compoundchemistrymedicineGeneral Materials ScienceBenzenemedicine.drugActa Crystallographica Section E Structure Reports Online
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