Information card for entry 1545013

Structure parameters

• Chemical name: 4-Iodo-<i>N</i>-(<i>o</i>-tolylsulfonyl)benzamide
• Formula: C14 H12 I N O3 S
• Calculated formula: C14 H12 I N O3 S
• SMILES: Ic1ccc(C(=O)NS(=O)(=O)c2c(cccc2)C)cc1
• Title of publication: 4-Iodo-<i>N</i>-(<i>o</i>-tolylsulfonyl)benzamide
• Authors of publication: Naveen, S.; Suresha, E.; Sudha, A. G.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 1
• Pages of publication: x162030
• a: 11.0543 ± 0.001 Å
• b: 12.1612 ± 0.001 Å
• c: 12.3464 ± 0.001 Å
• α: 119.14 ± 0.004°
• β: 94.668 ± 0.005°
• γ: 93.182 ± 0.005°
• Cell volume: 1436.2 ± 0.2 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: 0.0814
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes