Information card for entry 2226682

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-3-methoxybenzohydrazide
• Formula: C15 H13 Br N2 O3
• Calculated formula: C15 H13 Br N2 O3
• SMILES: Brc1ccc(O)c(c1)/C=N/NC(=O)c1cc(OC)ccc1
• Title of publication: (<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-3-methoxybenzohydrazide
• Authors of publication: Liu, Shi-Yong; Wang, Xiaoling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1805
• a: 6.865 ± 0.002 Å
• b: 30.726 ± 0.003 Å
• c: 7.257 ± 0.002 Å
• α: 90°
• β: 104.437 ± 0.015°
• γ: 90°
• Cell volume: 1482.4 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0927
• 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