Information card for entry 2241245

Structure parameters

• Common name: 2-fluoro-N-(thiazol-2-yl)benzamide
• Formula: C10 H7 F N2 O S
• Calculated formula: C10 H7 F N2 O S
• SMILES: s1c(NC(=O)c2c(F)cccc2)ncc1
• Title of publication: Crystal structure of 2-fluoro-<i>N</i>-(1,3-thiazol-2-yl)benzamide
• Authors of publication: Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Becerra, Diana; Camargo, Hernando; Henao, José A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o882 - o883
• a: 12.2171 ± 0.0008 Å
• b: 5.0741 ± 0.0003 Å
• c: 15.7078 ± 0.001 Å
• α: 90°
• β: 98.82 ± 0.006°
• γ: 90°
• Cell volume: 962.22 ± 0.11 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0596
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes