Information card for entry 2016596

Structure parameters

• Chemical name: 2-[N-(2-chlorophenyl)carbamoyl]benzenesulfonamide
• Formula: C13 H11 Cl N2 O3 S
• Calculated formula: C13 H11 Cl N2 O3 S
• SMILES: Clc1c(NC(=O)c2c(S(=O)(=O)N)cccc2)cccc1
• Title of publication: 2-[<i>N</i>-(<i>X</i>-Chlorophenyl)carbamoyl]benzenesulfonamide (with <i>X</i> = 2 and 4)
• Authors of publication: Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Khan, Islam Ullah; Siddiqui, Hamid Latif; Parvez, Masood
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o286 - o289
• a: 15.734 ± 0.009 Å
• b: 10.614 ± 0.006 Å
• c: 7.717 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1288.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes