Information card for entry 2215911

Structure parameters

• Chemical name: N-(2-Benzylidenepropylidene)-4-bromoaniline
• Formula: C16 H14 Br N
• Calculated formula: C16 H14 Br N
• SMILES: C(=C(\C=N\c1ccc(Br)cc1)C)/c1ccccc1
• Title of publication: <i>N</i>-(2-Benzylidenepropylidene)-4-bromoaniline
• Authors of publication: Khalaji, Aliakbar Dehno; Alexandra M. Z. Slawin; Woollins, J. Derek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4257 - o4257
• a: 7.3388 ± 0.0011 Å
• b: 11.798 ± 0.002 Å
• c: 31.001 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2684.2 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes