Information card for entry 2221363

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(5-Chloro-2-hydroxybenzylidene)-3,5-dihydroxybenzohydrazide monohydrate
• Formula: C14 H13 Cl N2 O5
• Calculated formula: C14 H13 Cl N2 O5
• SMILES: Clc1ccc(O)c(c1)/C=N/NC(=O)c1cc(O)cc(O)c1.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(5-Chloro-2-hydroxybenzylidene)-3,5-dihydroxybenzohydrazide monohydrate
• Authors of publication: Deng, Sa; Han, Ling; Huang, Shan-shan; Zhang, Hou-li; Diao, Yun-peng; Liu, Ke-xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o721
• a: 14.106 ± 0.003 Å
• b: 8.009 ± 0.0016 Å
• c: 13.127 ± 0.003 Å
• α: 90°
• β: 108.26 ± 0.03°
• γ: 90°
• Cell volume: 1408.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1099
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes