Information card for entry 2224017

Structure parameters

• Chemical name: 4-Bromo-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)benzamidine
• Formula: C21 H19 Br N2 O2
• Calculated formula: C21 H19 Br N2 O2
• SMILES: Brc1ccc(/C(=N\c2ccc(OC)cc2)Nc2ccc(OC)cc2)cc1
• Title of publication: 4-Bromo-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)benzamidine
• Authors of publication: Pal, Amlan K.; Hanan, Garry S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2777
• a: 9.2582 ± 0.0006 Å
• b: 16.8837 ± 0.001 Å
• c: 23.9403 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3742.2 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0295
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes