Information card for entry 2235247

Structure parameters

• Chemical name: 4,4'-Bipyridine–terephthalic acid (1/1)
• Formula: C18 H14 N2 O4
• Calculated formula: C18 H14 N2 O4
• SMILES: n1ccc(cc1)c1ccncc1.OC(=O)c1ccc(cc1)C(=O)O
• Title of publication: 4,4'-Bipyridine–terephthalic acid (1/1)
• Authors of publication: Koteswara Rao, Vandavasi; Zeller, Matthias; Lovelace-Cameron, Sherri R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1711
• a: 6.783 ± 0.004 Å
• b: 6.895 ± 0.004 Å
• c: 8.161 ± 0.005 Å
• α: 98.34 ± 0.008°
• β: 95.845 ± 0.009°
• γ: 104.623 ± 0.008°
• Cell volume: 361.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes