Information card for entry 2239699

Structure parameters

• Common name: Diazald
• Chemical name: <i>N</i>-Methyl-<i>N</i>-nitroso-<i>p</i>-toluenesulfonamide
• Formula: C8 H10 N2 O3 S
• Calculated formula: C8 H10 N2 O3 S
• SMILES: S(=O)(=O)(N(N=O)C)c1ccc(cc1)C
• Title of publication: <i>N</i>-Methyl-<i>N</i>-nitroso-<i>p</i>-toluenesulfonamide
• Authors of publication: Rai, Kartik; Wu, Vincent; Gupta, Priya; Laviska, David A.; Chan, Benny C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o782
• a: 6.8911 ± 0.0008 Å
• b: 8.4435 ± 0.001 Å
• c: 8.6248 ± 0.001 Å
• α: 81.458 ± 0.001°
• β: 85.883 ± 0.001°
• γ: 80.31 ± 0.001°
• Cell volume: 488.62 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes