Information card for entry 4500672

Structure parameters

• Formula: C24 H26 N4 O8 S2
• Calculated formula: C24 H26 N4 O8 S2
• SMILES: n1(=O)ccc(c2ccn(=O)cc2)cc1.O=S(=O)(c1ccc(cc1)OC)N.c1(ccc(cc1)OC)S(=O)(=O)N
• 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: 8.7426 ± 0.0008 Å
• b: 5.2061 ± 0.0005 Å
• c: 27.7269 ± 0.0019 Å
• α: 90°
• β: 102.935 ± 0.002°
• γ: 90°
• Cell volume: 1229.96 ± 0.18 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: 0.0422
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No