Information card for entry 2240800

Structure parameters

• Chemical name: Methyl (2<i>Z</i>)-3-(4-chlorophenyl)-2-[(3-methyl-1<i>H</i>-indol-1-yl)methyl]prop-2-enoate
• Formula: C20 H18 Cl N O2
• Calculated formula: C20 H18 Cl N O2
• SMILES: Clc1ccc(/C=C(Cn2c3ccccc3c(c2)C)/C(=O)OC)cc1
• Title of publication: Crystal structure of methyl (2<i>Z</i>)-3-(4-chlorophenyl)-2-[(3-methyl-1<i>H</i>-indol-1-yl)methyl]prop-2-enoate
• Authors of publication: Selvanayagam, S.; Sridhar, B.; Kathiravan, S.; Raghunathan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 720 - 722
• a: 9.5867 ± 0.0005 Å
• b: 15.9077 ± 0.0008 Å
• c: 10.8902 ± 0.0006 Å
• α: 90°
• β: 94.787 ± 0.001°
• γ: 90°
• Cell volume: 1654.99 ± 0.15 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes