Information card for entry 2233303

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-(4-chloro-3-iodophenyl)-4-(methylsulfonyl)benzamide
• Formula: C14 H10 Cl2 I N O3 S
• Calculated formula: C14 H10 Cl2 I N O3 S
• SMILES: O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)I)Cl
• Title of publication: 2-Chloro-<i>N</i>-(4-chloro-3-iodophenyl)-4-(methylsulfonyl)benzamide
• Authors of publication: Wang, Dao-Cai; Song, Hang; Yang, Chang; Huang, Wen-Cai; Yao, Shun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o189
• a: 8.8694 ± 0.0006 Å
• b: 10.3837 ± 0.0008 Å
• c: 10.4288 ± 0.0005 Å
• α: 103.862 ± 0.005°
• β: 96.452 ± 0.005°
• γ: 114.949 ± 0.007°
• Cell volume: 820.25 ± 0.11 ų
• Cell temperature: 290 ± 4 K
• Ambient diffraction temperature: 290 ± 4 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: 0.0341
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes