Information card for entry 4504991

Structure parameters

• Chemical name: 4-Aminobenzoic acid 4-nitrobenzoic acid
• Formula: C14 H12 N2 O6
• Calculated formula: C14 H12 N2 O6
• SMILES: N(=O)(=O)c1ccc(C(=O)O)cc1.Nc1ccc(C(=O)O)cc1
• 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: 9.2332 ± 0.0012 Å
• b: 6.1926 ± 0.0008 Å
• c: 23.143 ± 0.003 Å
• α: 90°
• β: 90.548 ± 0.002°
• γ: 90°
• Cell volume: 1323.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0708
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No