Information card for entry 2219778

Structure parameters

• Chemical name: Ethyl 1,3-dimethyl-1<i>H</i>-indole-2-carboxylate
• Formula: C13 H15 N O2
• Calculated formula: C13 H15 N O2
• SMILES: c12ccccc1c(c(C(=O)OCC)n2C)C
• Title of publication: Ethyl 1,3-dimethyl-1<i>H</i>-indole-2-carboxylate
• Authors of publication: Marx, A.; Chakkaravarthi, G.; Gobirajeshwaran, G.; Mohanakrishnan, A. K.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2200
• a: 7.5511 ± 0.0003 Å
• b: 12.2476 ± 0.0006 Å
• c: 12.9449 ± 0.0005 Å
• α: 90°
• β: 105.488 ± 0.002°
• γ: 90°
• Cell volume: 1153.71 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.1017
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes