Information card for entry 2227793

Structure parameters

• Chemical name: <i>N</i>-[(2-Chloro-8-methylquinolin-3-yl)methyl]-4-methoxyaniline
• Formula: C18 H17 Cl N2 O
• Calculated formula: C18 H17 Cl N2 O
• SMILES: Clc1nc2c(C)cccc2cc1CNc1ccc(cc1)OC
• Title of publication: <i>N</i>-[(2-Chloro-8-methylquinolin-3-yl)methyl]-4-methoxyaniline
• Authors of publication: Boulcina, Raouf; Benhamoud, Nassima; Bouacida, Sofiane; Roisnel, Thierry; Debache, Abdelmadjid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2856 - o2857
• a: 7.3067 ± 0.0001 Å
• b: 17.7803 ± 0.0004 Å
• c: 22.8221 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2964.94 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: C 2 c b
• Hall space group symbol: C -2ac 2
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0696
• 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