Information card for entry 2226702

Structure parameters

• Chemical name: 2,4-Dichloro-7,8-dimethylquinoline
• Formula: C11 H9 Cl2 N
• Calculated formula: C11 H9 Cl2 N
• SMILES: Clc1cc(Cl)c2c(n1)c(C)c(cc2)C
• Title of publication: 2,4-Dichloro-7,8-dimethylquinoline
• Authors of publication: Subashini, R.; Khan, F. Nawaz; Reddy, T. Rajashekar; 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: o1535
• a: 20.3054 ± 0.0009 Å
• b: 3.9992 ± 0.0002 Å
• c: 25.5743 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2076.77 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0819
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes