Information card for entry 2211095

Structure parameters

• Chemical name: 3-(4-Bromophenyliminomethyl)benzene-1,2-diol
• Formula: C13 H10 Br N O2
• Calculated formula: C13 H10 Br N O2
• SMILES: Brc1ccc(/N=C/c2c(O)c(O)ccc2)cc1
• Title of publication: 3-(4-Bromophenyliminomethyl)benzene-1,2-diol
• Authors of publication: Shaukat Shuja; Saqib Ali; Saira Shahzadi; Gaël Labat; Helen Stoeckli-Evans
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4789 - o4790
• a: 6.0312 ± 0.0012 Å
• b: 8.7087 ± 0.0015 Å
• c: 11.837 ± 0.002 Å
• α: 87.234 ± 0.015°
• β: 81.945 ± 0.015°
• γ: 71.189 ± 0.014°
• Cell volume: 582.71 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes