Information card for entry 2237781

Structure parameters

• Chemical name: Methyl 2-(5-chloro-1-methyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)acetate
• Formula: C12 H10 Cl N O3
• Calculated formula: C12 H10 Cl N O3
• SMILES: c1(ccc2c(c1)C(=C\C(=O)OC)/C(=O)N2C)Cl
• Title of publication: Methyl 2-(5-chloro-1-methyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)acetate
• Authors of publication: Kannan, Piskala Subburaman; Yuvaraj, PanneerSelvam; Manivannan, Karthikeyan; Reddy, Boreddy S. R.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o856
• a: 8.4709 ± 0.0007 Å
• b: 17.1658 ± 0.0013 Å
• c: 7.9481 ± 0.0006 Å
• α: 90°
• β: 107.228 ± 0.004°
• γ: 90°
• Cell volume: 1103.88 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0441
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes