Information card for entry 2233731

Structure parameters

• Chemical name: Methyl (<i>E</i>)-2-({2-[(<i>E</i>)-(hydroxyimino)methyl]phenoxy}methyl)- 3-phenylacrylate
• Formula: C18 H17 N O4
• Calculated formula: C18 H17 N O4
• SMILES: C(=N\O)/c1ccccc1OC/C(=C\c1ccccc1)C(=O)OC
• Title of publication: Methyl (<i>E</i>)-2-({2-[(<i>E</i>)-(hydroxyimino)methyl]phenoxy}methyl)-3-phenylacrylate
• Authors of publication: Suresh, G.; Sabari, V.; Srinivasan, J.; Mannickam, Bakthadoss; Aravindhan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o608
• a: 9.6463 ± 0.0004 Å
• b: 7.7062 ± 0.0003 Å
• c: 22.4675 ± 0.0009 Å
• α: 90°
• β: 100.337 ± 0.002°
• γ: 90°
• Cell volume: 1643.04 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes