Information card for entry 2226466

Structure parameters

• Chemical name: (2-Chloro-8-methylquinolin-3-yl)methanol
• Formula: C11 H10 Cl N O
• Calculated formula: C11 H10 Cl N O
• SMILES: Clc1nc2c(cccc2cc1CO)C
• Title of publication: (2-Chloro-8-methylquinolin-3-yl)methanol
• Authors of publication: Roopan, S. Mohana; Khan, F. Nawaz; Kumar, Rajesh; Hathwar, Venkatesha R.; Akkurt, Mehmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1543
• a: 14.963 ± 0.002 Å
• b: 4.632 ± 0.001 Å
• c: 14.469 ± 0.002 Å
• α: 90°
• β: 103.612 ± 0.001°
• γ: 90°
• Cell volume: 974.7 ± 0.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• 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: 0.1449
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes