Information card for entry 2219522

Structure parameters

• Chemical name: <i>N</i>'-(3-Bromo-5-chloro-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
• Formula: C14 H10 Br Cl N2 O3
• Calculated formula: C14 H10 Br Cl N2 O3
• SMILES: Brc1c(O)c(cc(Cl)c1)/C=N/NC(=O)c1ccc(O)cc1
• Title of publication: <i>N</i>'-(3-Bromo-5-chloro-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
• Authors of publication: Xue, Ling-Wei; Han, Yong-Jun; Hao, Cheng-Jun; Zhao, Gan-Qing; Liu, Qiao-Ru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1938
• a: 8.279 ± 0.002 Å
• b: 11.446 ± 0.003 Å
• c: 14.998 ± 0.004 Å
• α: 90°
• β: 99.002 ± 0.004°
• γ: 90°
• Cell volume: 1403.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes