Information card for entry 2221309

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(5-Bromo-2-methoxybenzylidene)-3-methoxybenzohydrazide
• Formula: C16 H15 Br N2 O3
• Calculated formula: C16 H15 Br N2 O3
• SMILES: COc1cccc(c1)C(=O)N/N=C/c1cc(Br)ccc1OC
• Title of publication: (<i>E</i>)-<i>N</i>'-(5-Bromo-2-methoxybenzylidene)-3-methoxybenzohydrazide
• Authors of publication: Li, Cong-Ming; Ban, Hong-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o883
• a: 29.063 ± 0.003 Å
• b: 10.934 ± 0.002 Å
• c: 9.913 ± 0.002 Å
• α: 90°
• β: 96.77 ± 0.03°
• γ: 90°
• Cell volume: 3128.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1315
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes