Information card for entry 2237604

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-(2,4-Dichlorobenzylidene)-2,5-dimethoxyaniline
• Formula: C15 H13 Cl2 N O2
• Calculated formula: C15 H13 Cl2 N O2
• SMILES: c1(c(ccc(c1)OC)OC)/N=C/c1c(cc(cc1)Cl)Cl
• Title of publication: (<i>E</i>)-<i>N</i>-(2,4-Dichlorobenzylidene)-2,5-dimethoxyaniline
• Authors of publication: Pan, Yong; Guo, Hai-Fu; Ma, De-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o469
• a: 13.2879 ± 0.0012 Å
• b: 5.1329 ± 0.0005 Å
• c: 21.149 ± 0.0018 Å
• α: 90°
• β: 96.622 ± 0.002°
• γ: 90°
• Cell volume: 1432.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes