Information card for entry 7101261

Structure parameters

• Common name: PhNHSO2NHPh
• Formula: C12 H12 N2 O2 S
• Calculated formula: C12 H12 N2 O2 S
• SMILES: S(=O)(=O)(Nc1ccccc1)Nc1ccccc1
• Title of publication: Sulfamides and sulfamide polymers directly from sulfur dioxide
• Authors of publication: Alexander V. Leontiev; H. V. Rasika Dias; Dmitry M. Rudkevich
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 27
• a: 10.0786 ± 0.0006 Å
• b: 11.3145 ± 0.0007 Å
• c: 11.3378 ± 0.0007 Å
• α: 78.439 ± 0.001°
• β: 72.441 ± 0.001°
• γ: 74.632 ± 0.001°
• Cell volume: 1178.34 ± 0.12 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: 0.0442
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No