Information card for entry 2240451

Structure parameters

• Chemical name: Methyl (<i>E</i>)-2-(1-methyl-2-oxoindolin-3-ylidene)acetate
• Formula: C12 H11 N O3
• Calculated formula: C12 H11 N O3
• SMILES: O(C)C(=O)/C=C1/C(=O)N(c2c1cccc2)C
• Title of publication: Crystal structure of methyl (<i>E</i>)-2-(1-methyl-2-oxoindolin-3-ylidene)acetate
• Authors of publication: Savithri, M. P.; Yuvaraj, P. S.; Reddy, B. S. R.; Raja, R.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: o188 - o189
• a: 11.6814 ± 0.0007 Å
• b: 5.6106 ± 0.0004 Å
• c: 16.5299 ± 0.0011 Å
• α: 90°
• β: 108.713 ± 0.002°
• γ: 90°
• Cell volume: 1026.09 ± 0.12 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: 0.0424
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes