Information card for entry 2242686

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-Benzylidene-4-chlorobenzenesulfonohydrazide
• Formula: C13 H11 Cl N2 O2 S
• Calculated formula: C13 H11 Cl N2 O2 S
• SMILES: c1(ccc(cc1)Cl)S(=O)(=O)N/N=C/c1ccccc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-benzylidene-4-chlorobenzenesulfonohydrazide and of its (<i>E</i>)-4-chloro-<i>N</i>'-(<i>ortho</i>- and <i>para</i>-methylbenzylidene)benzenesulfonohydrazide derivatives
• Authors of publication: Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• Pages of publication: 1613 - 1618
• a: 14.949 ± 0.002 Å
• b: 10.02 ± 0.001 Å
• c: 9.641 ± 0.001 Å
• α: 90°
• β: 104.27 ± 0.01°
• γ: 90°
• Cell volume: 1399.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.186
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes