Information card for entry 2231263

Structure parameters

• Chemical name: <i>N</i>-[Amino(azido)methylidene]-4-methylbenzenesulfonamide
• Formula: C8 H9 N5 O2 S
• Calculated formula: C8 H9 N5 O2 S
• SMILES: S(=O)(=O)(/N=C(\N)N=N#N)c1ccc(C)cc1
• Title of publication: <i>N</i>-[Amino(azido)methylidene]-4-methylbenzenesulfonamide
• Authors of publication: Mahmood, Ayyaz; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Ahmed, Jamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2140
• a: 6.8986 ± 0.0002 Å
• b: 7.2146 ± 0.0002 Å
• c: 11.3771 ± 0.0003 Å
• α: 92.244 ± 0.001°
• β: 93.615 ± 0.001°
• γ: 110.505 ± 0.001°
• Cell volume: 528.18 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0338
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No