Information card for entry 2235816

Structure parameters

• Chemical name: 2-[(<i>E</i>)-Methoxyimino]-2-{2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid
• Formula: C17 H17 N O4
• Calculated formula: C17 H17 N O4
• SMILES: N(=C(\C(=O)O)c1ccccc1COc1c(cccc1)C)/OC
• Title of publication: 2-[(<i>E</i>)-Methoxyimino]-2-{2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid
• Authors of publication: Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2425
• a: 7.8993 ± 0.0003 Å
• b: 8.572 ± 0.0003 Å
• c: 12.608 ± 0.0005 Å
• α: 88.013 ± 0.003°
• β: 82.27 ± 0.003°
• γ: 65.717 ± 0.004°
• Cell volume: 770.92 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0481
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes