Information card for entry 4504993

Structure parameters

• Chemical name: 4-Aminobenzoic acid 2,2'-bipyridine-n-oxide
• Formula: C24 H22 N4 O5
• Calculated formula: C24 H22 N4 O5
• SMILES: OC(=O)c1ccc(N)cc1.OC(=O)c1ccc(N)cc1.O=n1ccccc1c1ncccc1
• Title of publication: Structural Consequences of Strong and Weak Interactions to Binary Benzoic Acid/Bipyridine Supramolecular Assemblies
• Authors of publication: Bowers, Jeffrey R.; Hopkins, Gregory W.; Yap, Glenn P. A.; Wheeler, Kraig A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 727
• a: 8.2212 ± 0.0011 Å
• b: 16.0895 ± 0.0014 Å
• c: 17.7649 ± 0.0016 Å
• α: 90°
• β: 101.629 ± 0.01°
• γ: 90°
• Cell volume: 2301.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1307
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.2065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No