Information card for entry 2212169

Structure parameters

• Chemical name: 6-p-Tolyl-2,2'-bipyridinyl-4-carboxylic acid
• Formula: C18 H14 N2 O2
• Calculated formula: C18 H14 N2 O2
• SMILES: O=C(O)c1cc(nc(c1)c1ccc(cc1)C)c1ncccc1
• Title of publication: 6-<i>p</i>-Tolyl-2,2'-bipyridinyl-4-carboxylic acid
• Authors of publication: Qu, Wen-Shang; Wang, Guo-Yong; Du, Zhi-Ping; Lei, Tao; Cao, Qian-Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o491 - o492
• a: 14.699 ± 0.003 Å
• b: 3.968 ± 0.0008 Å
• c: 24.914 ± 0.005 Å
• α: 90°
• β: 105.67 ± 0.03°
• γ: 90°
• Cell volume: 1399.1 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1696
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 0.791
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes