Information card for entry 2221293

Structure parameters

• Chemical name: <i>N</i>-(1,3-Thiazol-2-yl)benzamide
• Formula: C10 H8 N2 O S
• Calculated formula: C10 H8 N2 O S
• SMILES: s1ccnc1NC(=O)c1ccccc1
• Title of publication: <i>N</i>-(1,3-Thiazol-2-yl)benzamide
• Authors of publication: Zonouzi, Afsaneh; Mirzazadeh, Roghieh; Rahmani, Hossein; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o817
• a: 12.0142 ± 0.0002 Å
• b: 5.0581 ± 0.0001 Å
• c: 15.409 ± 0.0003 Å
• α: 90°
• β: 99.093 ± 0.001°
• γ: 90°
• Cell volume: 924.62 ± 0.03 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0323
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes