Information card for entry 2201743

Structure parameters

• Formula: C24 H22 N4 O6
• Calculated formula: C24 H22 N4 O6
• SMILES: c1(ccn(=O)cc1)c1ccn(cc1)=O.c1(ccc(cc1)C(=O)O)N.c1(ccc(cc1)C(=O)O)N
• Title of publication: The 2:1 complex of 4-aminobenzoic acid and 4,4'-bipyridyl <i>N,N</i>'-dioxide
• Authors of publication: Moreno-Fuquen, Rodolfo; Font i Carot, Mercé; Garriga, Miquel; Cano, Felix; Martinez-Ripoll, Martin; Valderrama-Naranjo, Jaime; Serratto, Luis Manuel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o495 - o497
• a: 11.188 ± 0.001 Å
• b: 12.138 ± 0.002 Å
• c: 16.354 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2220.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes