Information card for entry 2238032

Structure parameters

• Chemical name: <i>N</i>-[(<i>E</i>)-4-Bromobenzylidene]-3,4-dimethylaniline
• Formula: C15 H14 Br N
• Calculated formula: C15 H14 Br N
• SMILES: Brc1ccc(cc1)/C=N/c1ccc(c(c1)C)C
• Title of publication: <i>N</i>-[(<i>E</i>)-4-Bromobenzylidene]-3,4-dimethylaniline
• Authors of publication: Sun, Li-Xia; Zhu, Ling-Zhi; Wang, Jun-Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o631
• a: 14.868 ± 0.007 Å
• b: 6.161 ± 0.003 Å
• c: 28.609 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2621 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes