Information card for entry 2236264

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide
• Formula: C11 H9 Cl N2 O S
• Calculated formula: C11 H9 Cl N2 O S
• SMILES: Clc1ccc(CC(=O)Nc2sccn2)cc1
• Title of publication: 2-(4-Chlorophenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2679
• a: 13.9169 ± 0.0013 Å
• b: 5.5188 ± 0.0005 Å
• c: 15.1836 ± 0.0014 Å
• α: 90°
• β: 100.311 ± 0.002°
• γ: 90°
• Cell volume: 1147.34 ± 0.18 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes