Information card for entry 2006482

Structure parameters

• Chemical name: 2,6,7-Trimethyl-3-(2'-pyridine)-3,4-dihydro-4-oxoquinazoline-8-carboxylic Acid
• Formula: C17 H15 N3 O3
• Calculated formula: C17 H15 N3 O3
• SMILES: n1c(C)n(c2ncccc2)c(=O)c2cc(C)c(C)c(C(=O)O)c12
• Title of publication: 3,4-Dihydro-2,6,7-trimethyl-4-oxo-3-(2-pyridyl)quinazoline-8-carboxylic Acid
• Authors of publication: Kubicki, Maciej; Szkaradzińska, Maria B.; Codding, Penelope W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1291 - 1293
• a: 12.9397 ± 0.0012 Å
• b: 4.9019 ± 0.0004 Å
• c: 23.18 ± 0.0003 Å
• α: 90°
• β: 90.703 ± 0.009°
• γ: 90°
• Cell volume: 1470.18 ± 0.18 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: 0.0934
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections: 0.1949
• Weighted residual factors for significantly intense reflections: 0.1214
• Goodness-of-fit parameter for all reflections: 1.307
• Goodness-of-fit parameter for significantly intense reflections: 0.993
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No