Information card for entry 2220719

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(3,4,5-trimethoxybenzylidene)aniline
• Formula: C16 H16 Cl N O3
• Calculated formula: C16 H16 Cl N O3
• SMILES: Clc1ccc(/N=C/c2cc(OC)c(OC)c(OC)c2)cc1
• Title of publication: 4-Chloro-<i>N</i>-(3,4,5-trimethoxybenzylidene)aniline
• Authors of publication: Dehno Khalaji, Aliakbar; Asghari, Jilla; Fejfarová, Karla; Dušek, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o253
• a: 7.2012 ± 0.0002 Å
• b: 8.187 ± 0.0001 Å
• c: 12.9734 ± 0.0003 Å
• α: 90°
• β: 105.05 ± 0.002°
• γ: 90°
• Cell volume: 738.63 ± 0.03 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.93
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes