Information card for entry 2221536

Structure parameters

• Chemical name: <i>N</i>'-(5-Chloro-2-hydroxybenzylidene)-3,4,5-trihydroxybenzohydrazide dihydrate
• Formula: C14 H15 Cl N2 O7
• Calculated formula: C14 H15 Cl N2 O7
• SMILES: Clc1ccc(O)c(c1)/C=N/NC(=O)c1cc(O)c(O)c(O)c1.O.O
• Title of publication: <i>N</i>'-(5-Chloro-2-hydroxybenzylidene)-3,4,5-trihydroxybenzohydrazide dihydrate
• Authors of publication: Abdul Alhadi, Abeer A.; Ali, Hapipah Mohd.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o910
• a: 30.5627 ± 0.0012 Å
• b: 3.7539 ± 0.0002 Å
• c: 12.8882 ± 0.0005 Å
• α: 90°
• β: 90.45 ± 0.003°
• γ: 90°
• Cell volume: 1478.61 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.108
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes