Information card for entry 2237400

Structure parameters

• Chemical name: 4-[5-(4-Chlorophenyl)-3-methyl-1<i>H</i>-pyrazol-1-yl]benzenesulfonamide
• Formula: C16 H14 Cl N3 O2 S
• Calculated formula: C16 H14 Cl N3 O2 S
• SMILES: S(=O)(=O)(N)c1ccc(n2nc(C)cc2c2ccc(Cl)cc2)cc1
• Title of publication: 4-[5-(4-Chlorophenyl)-3-methyl-1<i>H</i>-pyrazol-1-yl]benzenesulfonamide
• Authors of publication: Farrukh, Muhammad A.; Mohamed, Shaaban K.; Ahmed, Maqsood; Marzouk, Adel A.; El-Moghazy, Samir M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o295 - o296
• a: 15.878 ± 0.005 Å
• b: 8.209 ± 0.005 Å
• c: 12.953 ± 0.005 Å
• α: 90°
• β: 91.016 ± 0.005°
• γ: 90°
• Cell volume: 1688.1 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes