Information card for entry 1505208

Structure parameters

• Chemical name: 1:1 complex of saccharin and bipyridine-N,N'-oxide
• Formula: C24 H18 N4 O8 S2
• Calculated formula: C24 H18 N4 O8 S2
• SMILES: S1(=O)(=O)NC(=O)c2c1cccc2.S1(=O)(=O)NC(=O)c2c1cccc2.O=n1ccc(cc1)c1ccn(=O)cc1
• Title of publication: Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides
• Authors of publication: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini
• Journal of publication: Molecular Pharmaceutics
• Year of publication: 2007
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 417
• a: 6.5207 ± 0.0004 Å
• b: 14.0377 ± 0.0009 Å
• c: 13.1232 ± 0.0009 Å
• α: 90°
• β: 104.28 ± 0.001°
• γ: 90°
• Cell volume: 1164.12 ± 0.13 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No