Information card for entry 2238386

Structure parameters

• Chemical name: 7-Benzyl-3-methyl-6-phenylimidazo[2,1-<i>b</i>][1,3]thiazol-7-ium chloride 0.75-hydrate
• Formula: C19 H18.5 Cl N2 O0.75 S
• Calculated formula: C19 H18.5 Cl N2 O0.75 S
• Title of publication: 7-Benzyl-3-methyl-6-phenylimidazo[2,1-<i>b</i>][1,3]thiazol-7-ium chloride 0.75-hydrate
• Authors of publication: Guo-Li, Huang; Bo, Liu; Jun-Feng, Kou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1247 - o1248
• a: 13.211 ± 0.001 Å
• b: 13.211 ± 0.001 Å
• c: 19.555 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2955.7 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes