Information card for entry 2021220

Structure parameters

• Chemical name: (<i>E</i>)-4-Bromo-2-methoxy-6-[(2-methoxyphenylimino)methyl]phenol
• Formula: C15 H14 Br N O3
• Calculated formula: C15 H14 Br N O3
• SMILES: c1(c(cccc1)OC)/N=C/c1c(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: 6.4158 ± 0.0003 Å
• b: 7.3886 ± 0.0004 Å
• c: 15.2636 ± 0.0007 Å
• α: 87.081 ± 0.003°
• β: 87.488 ± 0.003°
• γ: 77.948 ± 0.003°
• Cell volume: 706.28 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0663
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes