Information card for entry 2216151

Structure parameters

• Chemical name: 4,4'-Bipyridyl–2-chloro-4-nitrobenzoic acid (1/2)
• Formula: C24 H16 Cl2 N4 O8
• Calculated formula: C24 H16 Cl2 N4 O8
• SMILES: Clc1c(ccc(N(=O)=O)c1)C(=O)O.Clc1c(ccc(N(=O)=O)c1)C(=O)O.n1ccc(cc1)c1ccncc1
• Title of publication: 4,4'-Bipyridyl–2-chloro-4-nitrobenzoic acid (1/2)
• Authors of publication: Gotoh, Kazuma; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4500 - o4500
• a: 12.0875 ± 0.0011 Å
• b: 8.0695 ± 0.0009 Å
• c: 24.61 ± 0.002 Å
• α: 90°
• β: 101.143 ± 0.002°
• γ: 90°
• Cell volume: 2355.2 ± 0.4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• 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: 0.037
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes