Information card for entry 1545039

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorophenylsulfonyl)-4-iodobenzamide
• Formula: C13 H9 Cl I N O3 S
• Calculated formula: C13 H9 Cl I N O3 S
• SMILES: c1(ccc(cc1)Cl)S(=O)(=O)NC(=O)c1ccc(cc1)I
• Title of publication: <i>N</i>-(4-Chlorophenylsulfonyl)-4-iodobenzamide
• Authors of publication: Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Warad, Ismail
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 1
• Pages of publication: x170025
• a: 18.1163 ± 0.0018 Å
• b: 13.3947 ± 0.0013 Å
• c: 12.3002 ± 0.0013 Å
• α: 90°
• β: 104.223 ± 0.004°
• γ: 90°
• Cell volume: 2893.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes