Information card for entry 2237448

Structure parameters

• Chemical name: 2-[(1<i>H</i>-Benzimidazol-2-yl)iminomethyl]-4,6-dibromophenol ethanol hemisolvate
• Formula: C30 H24 Br4 N6 O3
• Calculated formula: C30 H24 Br4 N6 O3
• SMILES: Brc1cc(Br)cc(c1O)/C=N/c1[nH]c2c(n1)cccc2.OCC
• Title of publication: 2-[(1<i>H</i>-Benzimidazol-2-yl)iminomethyl]-4,6-dibromophenol ethanol hemisolvate
• Authors of publication: Liu, Jie; Liu, Zheng; Yuan, Shuai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o362
• a: 14.53 ± 0.0015 Å
• b: 16.819 ± 0.0014 Å
• c: 13.8491 ± 0.0017 Å
• α: 90°
• β: 111.656 ± 0.013°
• γ: 90°
• Cell volume: 3145.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes