Information card for entry 2021219

Structure parameters

• Chemical name: (<i>E</i>)-4-Bromo-2-[(2-hydroxyphenylimino)methyl]-6-methoxyphenol
• Formula: C14 H12 Br N O3
• Calculated formula: C14 H12 Br N O3
• SMILES: c1(c(cccc1)O)N/C=C1\C(=O)C(=CC(Br)=C1)OC
• Title of publication: Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions
• Authors of publication: Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1094 - 1104
• a: 13.297 ± 0.002 Å
• b: 15.095 ± 0.003 Å
• c: 6.4166 ± 0.0013 Å
• α: 90°
• β: 91.329 ± 0.006°
• γ: 90°
• Cell volume: 1287.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0904
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes