Information card for entry 2235210

Structure parameters

• Chemical name: <i>N</i>-(5-Chloro-1,3-thiazol-2-yl)-2,4-difluorobenzamide
• Formula: C10 H5 Cl F2 N2 O S
• Calculated formula: C10 H5 Cl F2 N2 O S
• SMILES: c1(cc(ccc1C(=O)Nc1ncc(Cl)s1)F)F
• Title of publication: <i>N</i>-(5-Chloro-1,3-thiazol-2-yl)-2,4-difluorobenzamide
• Authors of publication: Liu, Xi-Wang; Li, Jian-Yong; Zhang, Han; Yang, Ya-Jun; Zhang, Ji-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1857
• a: 6.929 ± 0.002 Å
• b: 7.33 ± 0.002 Å
• c: 12.179 ± 0.004 Å
• α: 101.669 ± 0.003°
• β: 98.277 ± 0.003°
• γ: 111.796 ± 0.003°
• Cell volume: 545.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes