Information card for entry 2215667

Structure parameters

• Chemical name: 4-(2-Chlorobenzylidenehydrazinocarbonyl)-2-methyl-2H-pyrazole-3-sulfonic acid amide
• Formula: C12 H12 Cl N5 O3 S
• Calculated formula: C12 H12 Cl N5 O3 S
• SMILES: Cn1c(c(cn1)C(=O)N\N=C\c1c(cccc1)Cl)S(=O)(=O)N
• Title of publication: 4-(2-Chlorobenzylidenehydrazinocarbonyl)-2-methyl-2<i>H</i>-pyrazole-3-sulfonamide
• Authors of publication: Jia-Jia Wei; Wei-Dong Wang; Wen-Ying Li; Hong-Wu He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4057 - o4057
• a: 8.4272 ± 0.0006 Å
• b: 9.0905 ± 0.0007 Å
• c: 10.4381 ± 0.0007 Å
• α: 89.525 ± 0.001°
• β: 66.852 ± 0.001°
• γ: 87.722 ± 0.001°
• Cell volume: 734.66 ± 0.09 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0507
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes