Information card for entry 4509206

Structure parameters

• Formula: C14 H12 N4 O3
• Calculated formula: C14 H12 N4 O3
• SMILES: O=C1NC(=O)CC(=O)N1.n1ccc(c2ccncc2)cc1
• Title of publication: Classical and Weak Hydrogen Bonding Interactions between 4,4′-Bipyridine and Organic Acids: From Co-Crystal to Organic Complex
• Authors of publication: Nichol, Gary S.; Clegg, William
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 1844
• a: 26.444 ± 0.003 Å
• b: 13.26 ± 0.005 Å
• c: 7.4188 ± 0.0008 Å
• α: 90°
• β: 90.097 ± 0.005°
• γ: 90°
• Cell volume: 2601.4 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0844
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No