Information card for entry 4504997

Structure parameters

• Chemical name: 4-Nitrobenzoic acid 4,4'-bipyridine-N,N'-dioxide
• Formula: C24 H18 N4 O10
• Calculated formula: C24 H18 N4 O10
• SMILES: OC(=O)c1ccc(N(=O)=O)cc1.n1(=O)ccc(cc1)c1ccn(=O)cc1.OC(=O)c1ccc(N(=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: 9.2934 ± 0.0006 Å
• b: 11.6146 ± 0.0006 Å
• c: 12.2041 ± 0.001 Å
• α: 65.308 ± 0.006°
• β: 74.856 ± 0.005°
• γ: 75.299 ± 0.004°
• Cell volume: 1139.47 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No