Information card for entry 2211079

Structure parameters

• Chemical name: 4-fluoro-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
• Formula: C15 H10 F N3 O S
• Calculated formula: C15 H10 F N3 O S
• SMILES: s1cc(nc1NC(=O)c1ccc(F)cc1)c1ccncc1
• Title of publication: 4-Fluoro-<i>N</i>-[4-(pyridin-4-yl)thiazol-2-yl]benzamide
• Authors of publication: Lu, Yan-Chang; Dai, Hong; Zheng, Tong; Zhang, Bing-Nan; Fang, Jian-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5330 - o5331
• a: 8.43 ± 0.003 Å
• b: 13.352 ± 0.004 Å
• c: 11.853 ± 0.004 Å
• α: 90°
• β: 92.838 ± 0.006°
• γ: 90°
• Cell volume: 1332.5 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes