Information card for entry 2242709

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(4-Methylbenzylidene)-4-nitrobenzenesulfonohydrazide monohydrate
• Formula: C14 H15 N3 O5 S
• Calculated formula: C14 H15 N3 O5 S
• SMILES: S(=O)(=O)(N/N=C/c1ccc(cc1)C)c1ccc(N(=O)=O)cc1.O
• 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: 22.589 ± 0.002 Å
• b: 5.4424 ± 0.0004 Å
• c: 12.718 ± 0.0009 Å
• α: 90°
• β: 92.146 ± 0.006°
• γ: 90°
• Cell volume: 1562.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0524
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes