Information card for entry 2220558

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-3-methyl-<i>N</i>-(5-methylthiazol-2-yl)butanamide
• Formula: C15 H17 Cl N2 O S
• Calculated formula: C15 H17 Cl N2 O S
• SMILES: Clc1ccc(C(C(=O)Nc2sc(cn2)C)C(C)C)cc1
• Title of publication: 2-(4-Chlorophenyl)-3-methyl-<i>N</i>-(5-methylthiazol-2-yl)butanamide
• Authors of publication: Cheng, Jing-Li; Zhao, Jin-Hao; Zhu, Guo-Nian; Lin, Fu-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o184
• a: 14.9649 ± 0.0006 Å
• b: 17.6062 ± 0.0007 Å
• c: 12.5606 ± 0.0005 Å
• α: 90°
• β: 99.9482 ± 0.0011°
• γ: 90°
• Cell volume: 3259.6 ± 0.2 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: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.172
• 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