Information card for entry 2210974

Structure parameters

• Common name: N-(2-Methylphenyl)-C-(3,4,5-trimethoxyphenyl)nitrone
• Chemical name: 2-Methyl-N-(3,4,5-trimethoxybenzylidene)aniline N-oxide
• Formula: C17 H19 N O4
• Calculated formula: C17 H19 N O4
• SMILES: O(c1c(OC)c(OC)cc(C=N(=O)c2ccccc2C)c1)C
• Title of publication: 2-Methyl-<i>N</i>-(3,4,5-trimethoxybenzylidene)aniline <i>N</i>-oxide
• Authors of publication: Naveen, S.; Sadashiva, M. P.; Rangappa, K. S.; Sridhar, M. A.; Shashidhara Prasad, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4793 - o4795
• a: 7.532 ± 0.008 Å
• b: 8.256 ± 0.009 Å
• c: 12.872 ± 0.013 Å
• α: 90°
• β: 96.283 ± 0.004°
• γ: 90°
• Cell volume: 795.6 ± 1.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes