Information card for entry 1545507

Structure parameters

• Chemical name: 4-Iodo-<i>N</i>-(phenylsulfonyl)benzamide hemihydrate
• Formula: C13 H11 I N O3.5 S
• Calculated formula: C13 H11 I N O3.5 S
• SMILES: Ic1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1.O
• Title of publication: 4-Iodo-<i>N</i>-(phenylsulfonyl)benzamide hemihydrate
• Authors of publication: Suchetan, P. A.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Naveen, S.; Warad, Ismail
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 2
• Pages of publication: x170149
• a: 10.6311 ± 0.0005 Å
• b: 11.0403 ± 0.0005 Å
• c: 12.034 ± 0.0006 Å
• α: 97.594 ± 0.002°
• β: 92.173 ± 0.002°
• γ: 99.423 ± 0.001°
• Cell volume: 1378.59 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes