Information card for entry 2237686

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(3,4-Dihydroxybenzylidene)-2,4-dimethylbenzohydrazide monohydrate
• Formula: C16 H18 N2 O4
• Calculated formula: C16 H18 N2 O4
• SMILES: O=C(N/N=C/c1ccc(O)c(O)c1)c1c(cc(cc1)C)C.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(3,4-Dihydroxybenzylidene)-2,4-dimethylbenzohydrazide monohydrate
• Authors of publication: Taha, Muhammad; Ismail, Nor Hadiani; Jaafar, Faridahanim Mohd; Aziz, Ahmad Nazif; Yousuf, Sammer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o490
• a: 8.1373 ± 0.0003 Å
• b: 13.9025 ± 0.0005 Å
• c: 13.7886 ± 0.0005 Å
• α: 90°
• β: 92.913 ± 0.001°
• γ: 90°
• Cell volume: 1557.87 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes