Information card for entry 4500674

Structure parameters

• Formula: C24 H26 N4 O6 S2
• Calculated formula: C24 H26 N4 O6 S2
• SMILES: S(=O)(=O)(c1ccc(cc1)C)N.S(=O)(=O)(c1ccc(cc1)C)N.O=n1ccc(c2ccn(=O)cc2)cc1
• Title of publication: Sulfonamide−Pyridine-N-oxide Cocrystals
• Authors of publication: Goud, N. Rajesh; Babu, N. Jagadeesh; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1930
• a: 10.317 ± 0.0009 Å
• b: 12.3913 ± 0.001 Å
• c: 20.0553 ± 0.0017 Å
• α: 90°
• β: 103.728 ± 0.001°
• γ: 90°
• Cell volume: 2490.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No