Information card for entry 2225156

Structure parameters

• Chemical name: 4,4'-Bipyridine‒3-nitrobenzoic acid (1/2)
• Formula: C24 H18 N4 O8
• Calculated formula: C24 H18 N4 O8
• SMILES: C(=O)(c1cccc(c1)N(=O)=O)O.c1cc(ccn1)c1ccncc1.C(=O)(c1cccc(c1)N(=O)=O)O
• Title of publication: 4,4'-Bipyridine‒3-nitrobenzoic acid (1/2)
• Authors of publication: Zhu, Zhen; Wang, Feng-Qin; Zhao, Yong-Nan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o546
• a: 26.489 ± 0.007 Å
• b: 6.7757 ± 0.0014 Å
• c: 13.291 ± 0.003 Å
• α: 90°
• β: 112.19 ± 0.03°
• γ: 90°
• Cell volume: 2208.8 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes