Information card for entry 2221153

Structure parameters

• Chemical name: (<i>E</i>)-4-Bromo-<i>N</i>-(2,4-dimethoxybenzylidene)aniline
• Formula: C15 H14 Br N O2
• Calculated formula: C15 H14 Br N O2
• SMILES: N(=C\c1c(OC)cc(OC)cc1)/c1ccc(Br)cc1
• Title of publication: (<i>E</i>)-4-Bromo-<i>N</i>-(2,4-dimethoxybenzylidene)aniline
• Authors of publication: Khalaji, Aliakbar D.; Simpson, Jim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o553
• a: 4.1323 ± 0.0006 Å
• b: 10.7406 ± 0.0014 Å
• c: 29.911 ± 0.004 Å
• α: 90°
• β: 90.992 ± 0.008°
• γ: 90°
• Cell volume: 1327.4 ± 0.3 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 5
• 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: 0.0894
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes