Information card for entry 2202965

Structure parameters

• Common name: 2,6-dimethylquinolin-4(1H)-one
• Chemical name: 2,6-dimethylquinolin-4(1H)-one
• Formula: C11 H11 N O
• Calculated formula: C11 H11 N O
• SMILES: O=c1cc([nH]c2ccc(cc12)C)C
• Title of publication: 2,6-Dimethylquinolin-4(1<i>H</i>)-one
• Authors of publication: Rajnikant; Dinesh; M.B. Deshmukh; Kamni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1768 - o1769
• a: 9.068 ± 0.007 Å
• b: 8.352 ± 0.003 Å
• c: 12.253 ± 0.005 Å
• α: 90°
• β: 94.15 ± 0.04°
• γ: 90°
• Cell volume: 925.6 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No