Information card for entry 2235630

Structure parameters

• Chemical name: (<i>E</i>)-4-Amino-<i>N</i>'-(5-bromo-2-hydroxybenzylidene)benzohydrazide monohydrate
• Formula: C14 H14 Br N3 O3
• Calculated formula: C14 H14 Br N3 O3
• SMILES: Brc1ccc(O)c(/C=N/NC(=O)c2ccc(N)cc2)c1.O
• Title of publication: (<i>E</i>)-4-Amino-<i>N</i>'-(5-bromo-2-hydroxybenzylidene)benzohydrazide monohydrate
• Authors of publication: Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2120
• a: 15.8435 ± 0.0011 Å
• b: 7.1718 ± 0.0006 Å
• c: 12.6462 ± 0.0008 Å
• α: 90°
• β: 101.391 ± 0.003°
• γ: 90°
• Cell volume: 1408.64 ± 0.18 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• 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: 0.0412
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes