Information card for entry 2238874

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-5-Bromo-2-hydroxy-3-methoxybenzylidene]benzohydrazide monohydrate
• Formula: C15 H15 Br N2 O4
• Calculated formula: C15 H15 Br N2 O4
• SMILES: COc1cc(Br)cc(c1O)/C=N/NC(=O)c1ccccc1.O
• Title of publication: <i>N</i>'-[(<i>E</i>)-5-Bromo-2-hydroxy-3-methoxybenzylidene]benzohydrazide monohydrate
• Authors of publication: Emmanuel, Jessy; Sithambaresan, M.; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1775 - o1776
• a: 4.7223 ± 0.0005 Å
• b: 13.9357 ± 0.0017 Å
• c: 23.028 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1515.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No