Information card for entry 2223977

Structure parameters

• Chemical name: (<i>E</i>)-2-{4-[1-(Hydroxyimino)ethyl]phenyliminomethyl}-6-methoxyphenol monohydrate
• Formula: C16 H18 N2 O4
• Calculated formula: C16 H18 N2 O4
• SMILES: N(=C(\C)c1ccc(/N=C/c2c(O)c(OC)ccc2)cc1)\O.O
• Title of publication: (<i>E</i>)-2-{4-[1-(Hydroxyimino)ethyl]phenyliminomethyl}-6-methoxyphenol monohydrate
• Authors of publication: Tong, Jun-Feng; Gao, Su-Xia; Dong, Wen-Kui; Li, Hong-Fu; Wu, Jian-Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2764
• a: 8.103 ± 0.0014 Å
• b: 8.3273 ± 0.0015 Å
• c: 12.4392 ± 0.0016 Å
• α: 72.095 ± 0.001°
• β: 80.012 ± 0.002°
• γ: 69.454 ± 0.001°
• Cell volume: 745.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1277
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes