Information card for entry 2311168

Structure parameters

• Chemical name: Ethyl 2-(5-methoxy-2-methyl-1<i>H</i>-indol-3-yl)acetate
• Formula: C14 H17 N O3
• Calculated formula: C14 H17 N O3
• SMILES: O(c1cc2c([nH]c(c2CC(=O)OCC)C)cc1)C
• Title of publication: Ethyl 2-(5-meth-oxy-2-methyl-1H-indol-3-yl)acetate.
• Authors of publication: Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 8
• Pages of publication: o1242
• a: 7.8117 ± 0.0005 Å
• b: 17.1953 ± 0.0012 Å
• c: 9.9003 ± 0.0007 Å
• α: 90°
• β: 106.756 ± 0.001°
• γ: 90°
• Cell volume: 1273.39 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0519
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No