Information card for entry 2015879

Structure parameters

• Chemical name: 4,4'-Bipyridyl N,N'-dioxide–3-hydroxy-2-naphthoic acid (1/2)
• Formula: C32 H24 N2 O8
• Calculated formula: C32 H24 N2 O8
• SMILES: C(=O)(c1c(cc2ccccc2c1)O)O.n1(=O)ccc(cc1)c1ccn(=O)cc1.C(=O)(c1c(cc2ccccc2c1)O)O
• Title of publication: 4,4'-Bipyridyl <i>N</i>,<i>N</i>'-dioxide–3-hydroxy-2-naphthoic acid (1/2)
• Authors of publication: Lou, Ben-Yong; Huang, Yan-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o246 - o248
• a: 10.78 ± 0.0016 Å
• b: 11.88 ± 0.0011 Å
• c: 11.47 ± 0.0015 Å
• α: 90°
• β: 114.82 ± 0.005°
• γ: 90°
• Cell volume: 1333.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes