Information card for entry 2233846

Structure parameters

• Chemical name: 2,2'-(4-Methyl-4<i>H</i>-1,2,4-triazole-3,5-diyl)dibenzenesulfonamide
• Formula: C15 H15 N5 O4 S2
• Calculated formula: C15 H15 N5 O4 S2
• SMILES: S(=O)(=O)(N)c1ccccc1c1n(c(nn1)c1c(S(=O)(=O)N)cccc1)C
• Title of publication: 2,2'-(4-Methyl-4<i>H</i>-1,2,4-triazole-3,5-diyl)dibenzenesulfonamide
• Authors of publication: Akhtar, Tasleem; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o754
• a: 13.419 ± 0.0006 Å
• b: 6.9043 ± 0.0002 Å
• c: 19.0498 ± 0.0009 Å
• α: 90°
• β: 102.243 ± 0.002°
• γ: 90°
• Cell volume: 1724.8 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes