Information card for entry 2240190

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-4-methylbenzenesulfonohydrazide
• Formula: C14 H13 Cl N2 O2 S
• Calculated formula: C14 H13 Cl N2 O2 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)N/N=C/c1ccc(cc1)Cl
• Title of publication: Crystal structure of (<i>E</i>)-<i>N</i>'-(4-chlorobenzylidene)-4-methylbenzenesulfonohydrazide: a hexagonal polymorph
• Authors of publication: Balaji, J.; John Francis Xavier, J.; Prabu, S.; Srinivasan, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1250 - o1251
• a: 10.8907 ± 0.0003 Å
• b: 10.8907 ± 0.0003 Å
• c: 21.4542 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2203.71 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes