Information card for entry 2239476

Structure parameters

• Chemical name: 2-[(<i>E</i>)-(4-Bromophenyl)iminomethyl]-4-chlorophenol
• Formula: C13 H9 Br Cl N O
• Calculated formula: C13 H9 Br Cl N O
• SMILES: Brc1ccc(cc1)/N=C/c1cc(Cl)ccc1O
• Title of publication: 2-[(<i>E</i>)-(4-Bromophenyl)iminomethyl]-4-chlorophenol
• Authors of publication: Gao, Xiao-Li; Feng, Si-Si; Yuan, Cai-Xia; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o235 - o236
• a: 6.9964 ± 0.0015 Å
• b: 55.786 ± 0.012 Å
• c: 6.1443 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2398.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes