Information card for entry 4504996

Structure parameters

• Chemical name: 4-nitrobenzoic acid 2,2'-bipyridine-N,N'-dioxide
• Formula: C24 H18 N4 O10
• Calculated formula: C24 H18 N4 O10
• SMILES: c1cccc(c2ccccn2=O)n1=O.N(=O)(=O)c1ccc(cc1)C(=O)O.C(=O)(c1ccc(cc1)N(=O)=O)O
• 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: 13.105 ± 0.003 Å
• b: 7.1812 ± 0.0017 Å
• c: 23.756 ± 0.006 Å
• α: 90°
• β: 92.742 ± 0.004°
• γ: 90°
• Cell volume: 2233.1 ± 0.9 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 4
• 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: 0.0837
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.122
• 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