Information card for entry 2225676

Structure parameters

• Chemical name: (2-Chlorobenzo[<i>h</i>]quinolin-3-yl)methanol
• Formula: C14 H10 Cl N O
• Calculated formula: C14 H10 Cl N O
• SMILES: Clc1nc2c3c(ccc2cc1CO)cccc3
• Title of publication: (2-Chlorobenzo[<i>h</i>]quinolin-3-yl)methanol
• Authors of publication: Khan, F. Nawaz; Mohana Roopan, S.; Hathwar, Venkatesha R.; Rajesh, R.; Khawar Rauf, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o953
• a: 16.6953 ± 0.0004 Å
• b: 4.61459 ± 0.00011 Å
• c: 14.5588 ± 0.0003 Å
• α: 90°
• β: 95.123 ± 0.002°
• γ: 90°
• Cell volume: 1117.16 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes