Information card for entry 2224731

Structure parameters

• Chemical name: 1-[2-(Carboxymethoxy)phenyl]-<i>N</i>-(4-chlorophenyl)methanimine oxide
• Formula: C15 H12 Cl N O4
• Calculated formula: C15 H12 Cl N O4
• SMILES: Clc1ccc(N(=O)=Cc2c(OCC(=O)O)cccc2)cc1
• Title of publication: 1-[2-(Carboxymethoxy)phenyl]-<i>N</i>-(4-chlorophenyl)methanimine oxide
• Authors of publication: Skakle, Janet M. S.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o45 - o46
• a: 7.6631 ± 0.0002 Å
• b: 19.3034 ± 0.0005 Å
• c: 9.6305 ± 0.0003 Å
• α: 90°
• β: 107.083 ± 0.001°
• γ: 90°
• Cell volume: 1361.73 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes