Information card for entry 2211167

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide
• Formula: C14 H15 Cl N2 O S
• Calculated formula: C14 H15 Cl N2 O S
• SMILES: Clc1ccc(C(C(=O)Nc2sccn2)C(C)C)cc1
• Title of publication: 2-(4-Chlorophenyl)-3-methyl-<i>N</i>-(thiazol-2-yl)butanamide
• Authors of publication: Jin-Hao Zhao; Jing-Li Cheng; Yan-Kun Huang; Guo-Nian Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4840 - o4841
• a: 14.925 ± 0.006 Å
• b: 17.712 ± 0.01 Å
• c: 11.214 ± 0.004 Å
• α: 90°
• β: 91.497 ± 0.014°
• γ: 90°
• Cell volume: 2963 ± 2 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes