Information card for entry 2242658

Structure parameters

• Chemical name: (<i>E</i>)-4-Bromo-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide
• Formula: C15 H13 Br N2 O2
• Calculated formula: C15 H13 Br N2 O2
• SMILES: Brc1ccc(cc1)C(=O)N/N=C/c1ccc(OC)cc1
• Title of publication: Crystal structure, Hirshfeld surface analysis and HOMO‒LUMO analysis of (<i>E</i>)-4-bromo-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide
• Authors of publication: Balasubramani, Kasthuri; Premkumar, Ganesan; Sivajeyanthi, Palaniyappan; Jeevaraj, Muthaiah; Edison, Bellarmin; Swu, Toka
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1500 - 1503
• a: 15.6963 ± 0.0014 Å
• b: 5.4121 ± 0.0004 Å
• c: 18.6224 ± 0.0016 Å
• α: 90°
• β: 119.609 ± 0.006°
• γ: 90°
• Cell volume: 1375.4 ± 0.2 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: 0.0521
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes