Information card for entry 2226811

Structure parameters

• Chemical name: 4-Chloro-2,5-dimethylquinoline
• Formula: C11 H10 Cl N
• Calculated formula: C11 H10 Cl N
• SMILES: Clc1c2c(nc(c1)C)cccc2C
• Title of publication: 4-Chloro-2,5-dimethylquinoline
• Authors of publication: Prabha, K.; Vennila, K. N.; Prasad, K. J. Rajendra; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2020
• a: 6.9534 ± 0.0009 Å
• b: 13.0762 ± 0.0014 Å
• c: 10.4306 ± 0.0011 Å
• α: 90°
• β: 99.239 ± 0.008°
• γ: 90°
• Cell volume: 936.09 ± 0.19 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: 0.0853
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes