Information card for entry 2014110

Structure parameters

• Chemical name: 4-chloro-N-[4-(dimethylamino)benzylidene]aniline
• Formula: C15 H15 Cl N2
• Calculated formula: C15 H15 Cl N2
• SMILES: Clc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1
• Title of publication: C—H···π, π‒π and C—H···Cl interactions in chloro-substituted Schiff bases and 4-chloro-<i>N</i>-[4-(dimethylamino)benzylidene]aniline
• Authors of publication: Xiu-Li You; Cheng-Rong Lu; Yong Zhang; De-Chun Zhang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o693 - o695
• a: 9.852 ± 0.006 Å
• b: 16.268 ± 0.009 Å
• c: 9.512 ± 0.006 Å
• α: 90°
• β: 119.904 ± 0.006°
• γ: 90°
• Cell volume: 1321.5 ± 1.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0603
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes