Information card for entry 2008208

Structure parameters

• Chemical name: 2,4,6-Trymethylpyridine benzoic acid
• Formula: C15 H17 N O2
• Calculated formula: C15 H17 N O2
• SMILES: OC(=O)c1ccccc1.Cc1cc(C)nc(c1)C
• Title of publication: Three 2,4,6-trimethylpyridine‒benzoic acid complexes at 150K
• Authors of publication: Foces-Foces, C.; Llamas-Saiz, A.L.; Lorente, P; Golubev, N.S.; Limbach, H.-H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 377 - 381
• a: 7.4875 ± 0.0006 Å
• b: 14.4756 ± 0.0014 Å
• c: 12.1879 ± 0.0012 Å
• α: 90°
• β: 92.702 ± 0.007°
• γ: 90°
• Cell volume: 1319.5 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.083
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.091
• Goodness-of-fit parameter for all reflections: 0.992
• Goodness-of-fit parameter for significantly intense reflections: 1
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes