Information card for entry 2239835

Structure parameters

• Chemical name: (<i>E</i>)-4-Hydroxy-<i>N</i>'-(3-hydroxybenzylidene)benzohydrazide monohydrate
• Formula: C14 H14 N2 O4
• Calculated formula: C14 H14 N2 O4
• SMILES: c1cc(ccc1C(=O)N/N=C/c1cc(ccc1)O)O.O
• Title of publication: Crystal structure of (<i>E</i>)-4-hydroxy-<i>N</i>'-(3-hydroxybenzylidene)benzohydrazide monohydrate
• Authors of publication: Harrison, William T. A.; Low, John Nicolson; Wardell, James L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o891 - o892
• a: 7.1826 ± 0.0005 Å
• b: 9.2043 ± 0.0006 Å
• c: 10.7568 ± 0.0007 Å
• α: 91.847 ± 0.007°
• β: 102.433 ± 0.007°
• γ: 110.191 ± 0.008°
• Cell volume: 647.37 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes