Information card for entry 1543480

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
• Formula: C11 H8 Cl2 N2 O S
• Calculated formula: C11 H8 Cl2 N2 O S
• SMILES: s1cc(nc1NC(=O)CCl)c1ccc(Cl)cc1
• Title of publication: 2-Chloro-<i>N</i>-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
• Authors of publication: Saravanan, K.; Priya, K.; Anand, S. Athavan Alias; Kabilan, S.; Selvanayagam, S.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 6
• Pages of publication: x160903
• a: 5.094 ± 0.0012 Å
• b: 14.738 ± 0.003 Å
• c: 15.703 ± 0.003 Å
• α: 90°
• β: 96.932 ± 0.009°
• γ: 90°
• Cell volume: 1170.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0818
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes