Information card for entry 2238881

Structure parameters

• Chemical name: (<i>Z</i>)-3-(1-chloroprop-1-enyl)-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole
• Formula: C18 H16 Cl N O2 S
• Calculated formula: C18 H16 Cl N O2 S
• SMILES: C/C=C(/c1c2ccccc2n(c1C)S(=O)(=O)c1ccccc1)Cl
• Title of publication: (<i>Z</i>)-3-(1-Chloroprop-1-enyl)-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole
• Authors of publication: Umadevi, M.; Saravanan, V.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1781
• a: 12.5204 ± 0.001 Å
• b: 10.4962 ± 0.0007 Å
• c: 12.983 ± 0.001 Å
• α: 90°
• β: 98.892 ± 0.002°
• γ: 90°
• Cell volume: 1685.7 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0646
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No