Information card for entry 2015896

Structure parameters

• Chemical name: 4,6-Dimethyl-2-(3-pyridyl)quinolin-5-amine
• Formula: C16 H15 N3
• Calculated formula: C16 H15 N3
• SMILES: n1c(cc(c2c(N)c(ccc12)C)C)c1cnccc1
• Title of publication: 4,6-Dimethyl-2-(3-pyridyl)quinolin-5-amine
• Authors of publication: Montaño, Ángela Marcela; Henao, José Antonio; Vargas-Méndez, Leonor Y.; Kouznetsov, Vladimir V.; Atencio, Reinaldo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o228 - o230
• a: 9.397 ± 0.003 Å
• b: 18.314 ± 0.002 Å
• c: 7.399 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1273.3 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes