Information card for entry 2205505

Structure parameters

• Chemical name: N-(2,2-Dimethyl-4-oxo-1,3-thiazolidin-3-yl)-6- methylimidazo[2,1-b][1,3]thiazole-5-carboxamide monohydrate
• Formula: C12 H16 N4 O3 S2
• Calculated formula: C12 H16 N4 O3 S2
• SMILES: s1c2nc(C)c(n2cc1)C(=O)NN1C(=O)CSC1(C)C.O
• Title of publication: <i>N</i>-(2,2-Dimethyl-4-oxo-1,3-thiazolidin-3-yl)-6-methylimidazo[2,1-<i>b</i>][1,3]thiazole-5-carboxamide monohydrate
• Authors of publication: Sema Öztürk Yıldırım; Mehmet Akkurt; Fusun Ur; Zafer Cesur; Nesrin Cesur; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o892 - o894
• a: 11.366 ± 0.0007 Å
• b: 21.4096 ± 0.0012 Å
• c: 12.9034 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3139.9 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No