Information card for entry 2231585

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-[(6-Bromopyridin-2-yl)methylidene]-4-methylaniline
• Formula: C13 H11 Br N2
• Calculated formula: C13 H11 Br N2
• SMILES: Brc1nc(ccc1)/C=N/c1ccc(cc1)C
• Title of publication: (<i>E</i>)-<i>N</i>-[(6-Bromopyridin-2-yl)methylidene]-4-methylaniline
• Authors of publication: Cai, Mingjian; Ma, Penggao; Wang, Xiuge; Sun, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2335
• a: 13.542 ± 0.003 Å
• b: 6.1544 ± 0.0015 Å
• c: 27.62 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2301.9 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes