Information card for entry 2216600

Structure parameters

• Chemical name: (E)-N'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxybenzohydrazide ethanol solvate
• Formula: C16 H17 Br N2 O4
• Calculated formula: C16 H17 Br N2 O4
• SMILES: Brc1ccc(O)c(c1)/C=N/NC(=O)c1ccc(O)cc1.OCC
• Title of publication: (<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxybenzohydrazide ethanol solvate
• Authors of publication: Jing, Zuo-Liang; Yu, Ming; Chen, Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4902 - o4902
• a: 17.873 ± 0.004 Å
• b: 17.834 ± 0.004 Å
• c: 12.955 ± 0.003 Å
• α: 90°
• β: 129.48 ± 0.03°
• γ: 90°
• Cell volume: 3187.2 ± 1.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes