Information card for entry 2214296

Structure parameters

• Chemical name: 4-Acetamido-<i>N</i>-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide
• Formula: C10 H11 N5 O3 S
• Calculated formula: C10 H11 N5 O3 S
• SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)n1c(ncn1)N
• Title of publication: 4-Acetamido-<i>N</i>-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide
• Authors of publication: Fu Juan; Zhu Chuan-Fang; Sun Yu-Ting; Hu Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3116 - o3116
• a: 7.652 ± 0.0005 Å
• b: 11.2724 ± 0.0008 Å
• c: 14.0331 ± 0.001 Å
• α: 90°
• β: 94.047 ± 0.001°
• γ: 90°
• Cell volume: 1207.43 ± 0.14 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0422
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes