Information card for entry 2219066

Structure parameters

• Chemical name: N'-(2-Hydroxy-5-nitrobenzylidene)benzenesulfonohydrazide
• Formula: C13 H11 N3 O5 S
• Calculated formula: C13 H11 N3 O5 S
• SMILES: S(=O)(=O)(N\N=C\c1c(O)ccc(N(=O)=O)c1)c1ccccc1
• Title of publication: <i>N</i>'-(2-Hydroxy-5-nitrobenzylidene)benzenesulfonohydrazide
• Authors of publication: Yusnita, Juahir; Ali, Hapipah M.; Puvaneswary, Subramaniam; Robinson, Ward T.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1583
• a: 7.8188 ± 0.0001 Å
• b: 14.5904 ± 0.0002 Å
• c: 11.9083 ± 0.0001 Å
• α: 90°
• β: 98.159 ± 0.001°
• γ: 90°
• Cell volume: 1344.74 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes