Information card for entry 2221509

Structure parameters

• Chemical name: 3-Bromo-<i>N</i>'-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide monohydrate
• Formula: C14 H11 Br I2 N2 O3
• Calculated formula: C14 H11 Br I2 N2 O3
• SMILES: Ic1c(O)c(cc(I)c1)/C=N/NC(=O)c1cc(Br)ccc1.O
• Title of publication: 3-Bromo-<i>N</i>'-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide monohydrate
• Authors of publication: Ning, Jing-Heng; Xu, Xiao-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o905 - o906
• a: 15.181 ± 0.003 Å
• b: 7.611 ± 0.002 Å
• c: 15.516 ± 0.003 Å
• α: 90°
• β: 110.628 ± 0.003°
• γ: 90°
• Cell volume: 1677.8 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes