Information card for entry 2223873

Structure parameters

• Chemical name: <i>N</i>-{<i>N</i>-[5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol- 2-yl]carbamoyl}-2,6-difluorobenzamide
• Formula: C16 H8 Cl2 F2 N4 O2 S
• Calculated formula: C16 H8 Cl2 F2 N4 O2 S
• SMILES: s1c(NC(=O)NC(=O)c2c(F)cccc2F)nnc1c1c(Cl)cc(Cl)cc1
• Title of publication: <i>N</i>-{<i>N</i>-[5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-2,6-difluorobenzamide
• Authors of publication: Wang, Peng; Wan, Rong; Han, Feng; Wang, Yao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2946
• a: 8.16 ± 0.0016 Å
• b: 7.61 ± 0.0015 Å
• c: 27.102 ± 0.005 Å
• α: 90°
• β: 92.42 ± 0.03°
• γ: 90°
• Cell volume: 1681.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0706
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes