Information card for entry 2238031

Structure parameters

• Chemical name: <i>N</i>-[(<i>E</i>)-4-Bromobenzylidene]-2,3-dimethylaniline
• Formula: C15 H14 Br N
• Calculated formula: C15 H14 Br N
• SMILES: Brc1ccc(cc1)/C=N/c1cccc(c1C)C
• Title of publication: <i>N</i>-[(<i>E</i>)-4-Bromobenzylidene]-2,3-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: o630
• a: 12.945 ± 0.009 Å
• b: 7.857 ± 0.005 Å
• c: 14.497 ± 0.01 Å
• α: 90°
• β: 113.384 ± 0.008°
• γ: 90°
• Cell volume: 1353.4 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1321
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes