Information card for entry 2242707

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(2-Chlorobenzylidene)-4-nitrobenzenesulfonohydrazide
• Formula: C13 H10 Cl N3 O4 S
• Calculated formula: C13 H10 Cl N3 O4 S
• SMILES: Clc1c(/C=N/NS(=O)(=O)c2ccc(N(=O)=O)cc2)cccc1
• Title of publication: Crystal structures and the Hirshfeld surface analysis of <i>(E)</i>-4-nitro-<i>N</i>'-(<i>o</i>-chloro, <i>o</i>- and <i>p</i>-methylbenzylidene)benzenesulfonohydrazides
• 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: 12
• Pages of publication: 1710 - 1716
• a: 4.9498 ± 0.0006 Å
• b: 22.34 ± 0.003 Å
• c: 7.0003 ± 0.0009 Å
• α: 90°
• β: 104.4 ± 0.01°
• γ: 90°
• Cell volume: 749.76 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes