Information card for entry 2233492

Structure parameters

• Chemical name: 1-(4-{[(<i>E</i>)-3-Ethoxy-2-hydroxybenzylidene]amino}phenyl)ethanone oxime
• Formula: C17 H18 N2 O3
• Calculated formula: C17 H18 N2 O3
• SMILES: N(=C(C)\c1ccc(/N=C/c2c(O)c(OCC)ccc2)cc1)/O
• Title of publication: 1-(4-{[(<i>E</i>)-3-Ethoxy-2-hydroxybenzylidene]amino}phenyl)ethanone oxime
• Authors of publication: Zhao, Li; Dong, Xu-Tao; Xing, Si-Jia; Cheng, Qian; Zhao, Ji-Xing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o429
• a: 7.0556 ± 0.0007 Å
• b: 7.4852 ± 0.0009 Å
• c: 14.7821 ± 0.0016 Å
• α: 96.89 ± 0.001°
• β: 98.762 ± 0.001°
• γ: 102.105 ± 0.002°
• Cell volume: 745.03 ± 0.14 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: 0.1289
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes