Information card for entry 2227995

Structure parameters

• Chemical name: 4-[(2-Hydroxy-5-nitrobenzylidene)amino]benzenesulfonamide
• Formula: C13 H11 N3 O5 S
• Calculated formula: C13 H11 N3 O5 S
• SMILES: S(=O)(=O)(N)c1ccc(/N=C/c2c(O)ccc(N(=O)=O)c2)cc1
• Title of publication: 4-[(2-Hydroxy-5-nitrobenzylidene)amino]benzenesulfonamide
• Authors of publication: Tan, Yi-Han; Teoh, Siang Guan; Loh, Wan-Sin; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2610 - o2611
• a: 6.7698 ± 0.0001 Å
• b: 26.4754 ± 0.0003 Å
• c: 9.9683 ± 0.0001 Å
• α: 90°
• β: 131.544 ± 0.001°
• γ: 90°
• Cell volume: 1337.21 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 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: 0.048
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes