Information card for entry 2222252

Structure parameters

• Chemical name: 8-Chloro-2-methylquinoline
• Formula: C10 H8 Cl N
• Calculated formula: C10 H8 Cl N
• SMILES: Clc1cccc2ccc(C)nc12
• Title of publication: 8-Chloro-2-methylquinoline
• Authors of publication: Wu, Tian-Quan; Wang, Jian-Hua; Shen, Fang; Hu, Ai-Xi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1463
• a: 12.7961 ± 0.0009 Å
• b: 5.066 ± 0.0004 Å
• c: 13.1181 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 850.38 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes