Information card for entry 2230299

Structure parameters

• Common name: proseptazine
• Chemical name: 4-(benzylamino)benzenesulfonamide
• Formula: C13 H14 N2 O2 S
• Calculated formula: C13 H14 N2 O2 S
• SMILES: S(=O)(=O)(N)c1ccc(NCc2ccccc2)cc1
• Title of publication: Benzylsulfamide
• Authors of publication: Gelbrich, Thomas; Haddow, Mairi F.; Griesser, Ulrich J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1551 - o1552
• a: 7.8426 ± 0.0001 Å
• b: 10.5549 ± 0.0011 Å
• c: 14.6694 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1214.3 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes