Information card for entry 2227196

Structure parameters

• Chemical name: (<i>E</i>)-4-Bromo-<i>N</i>-(2,3-dimethoxybenzylidene)aniline
• Formula: C15 H14 Br N O2
• Calculated formula: C15 H14 Br N O2
• SMILES: Brc1ccc(/N=C/c2c(OC)c(OC)ccc2)cc1
• Title of publication: (<i>E</i>)-4-Bromo-<i>N</i>-(2,3-dimethoxybenzylidene)aniline
• Authors of publication: Fejfarová, Karla; Makrlík, Emanuel; Khalaji, Aliakbar Dehno
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2217
• a: 13.9978 ± 0.0002 Å
• b: 7.0557 ± 0.0001 Å
• c: 27.3758 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2703.75 ± 0.07 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.82
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes