Information card for entry 2105807

Structure parameters

• Common name: Xylazine hydrochloride A form
• Chemical name: 2-(2,6-xylidino)-5,6-dihydro-4H-1,3-thiazine hydrochloride
• Formula: C12 H17 Cl N2 S
• Calculated formula: C12 H17 Cl N2 S
• SMILES: S1CCC[NH+]=C1Nc1c(cccc1C)C.[Cl-]
• Title of publication: Structure determination of three polymorphs of xylazine from laboratory powder diffraction data
• Authors of publication: Zvirgzdins, Alvis; Mishnev, Anatolijs; Actins, Andris
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: 342 - 346
• a: 11.587 ± 0.0003 Å
• b: 8.7174 ± 0.0002 Å
• c: 14.8813 ± 0.0004 Å
• α: 90°
• β: 115.147 ± 0.0013°
• γ: 90°
• Cell volume: 1360.67 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor R(I) for significantly intense reflections: 0.037
• Goodness-of-fit parameter for all reflections: 1.34
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No