Information card for entry 1543425

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-(4-phenyl-1,3-thiazol-2-yl)acetamide
• Formula: C11 H9 Cl N2 O S
• Calculated formula: C11 H9 Cl N2 O S
• SMILES: s1cc(nc1NC(=O)CCl)c1ccccc1
• Title of publication: 2-Chloro-<i>N</i>-(4-phenyl-1,3-thiazol-2-yl)acetamide
• Authors of publication: Saravanan, K.; Elancheran, R.; Divakar, S.; Kabilan, S.; Selvanayagam, S.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 6
• Pages of publication: x160879
• a: 8.0406 ± 0.0009 Å
• b: 9.2313 ± 0.0014 Å
• c: 15.9898 ± 0.0017 Å
• α: 85.693 ± 0.019°
• β: 76.448 ± 0.019°
• γ: 87.082 ± 0.019°
• Cell volume: 1149.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes