Information card for entry 2228976

Structure parameters

• Chemical name: 4-chloro-6-methyl-<i>N</i>-(4-methylphenyl)quinolin-2-amine
• Formula: C17 H15 Cl N2
• Calculated formula: C17 H15 Cl N2
• SMILES: Clc1c2c(nc(c1)Nc1ccc(C)cc1)ccc(c2)C
• Title of publication: 4-Chloro-6-methyl-<i>N</i>-(4-methylphenyl)quinolin-2-amine
• Authors of publication: Vennila, K. N.; Prabha, K.; Manoj, M.; Prasad, K. J. Rajendra; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o490
• a: 15.1445 ± 0.0013 Å
• b: 11.4337 ± 0.001 Å
• c: 8.4764 ± 0.0007 Å
• α: 90°
• β: 92.344 ± 0.004°
• γ: 90°
• Cell volume: 1466.5 ± 0.2 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: 0.0699
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes