Information card for entry 8102209

Structure parameters

• Chemical name: methyl quinoline-2-carboxylate
• Formula: C11 H9 N O2
• Calculated formula: C11 H9 N O2
• SMILES: O(C(=O)c1nc2ccccc2cc1)C
• Title of publication: Crystal structure of methyl quinoline-2-carboxylate, C11H9NO2
• Authors of publication: Lin-Hai Jing; Da-Bin Qin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 1
• Pages of publication: 35
• a: 3.8656 ± 0.0001 Å
• b: 10.4402 ± 0.0005 Å
• c: 22.218 ± 0.0007 Å
• α: 90°
• β: 90.432 ± 0.001°
• γ: 90°
• Cell volume: 896.64 ± 0.06 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0368
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No