Information card for entry 7209773

Structure parameters

• Common name: p-toluenesulfonamide
• Formula: C7 H9 N O2 S
• Calculated formula: C7 H9 N O2 S
• SMILES: S(=O)(=O)(N)c1ccc(cc1)C
• Title of publication: Crystalline products of tolbutamide decomposition in water after microwave treatment
• Authors of publication: Drebushchak, Tatiana N.; Pankrushina, Natalia A.; Mikheev, Aleksandr N.; Thumm, Manfred K. A.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 3582
• a: 5.1562 ± 0.0002 Å
• b: 8.325 ± 0.0004 Å
• c: 9.8583 ± 0.0007 Å
• α: 100.801 ± 0.005°
• β: 102.284 ± 0.004°
• γ: 90.371 ± 0.003°
• Cell volume: 405.68 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No