Information card for entry 2229329

Structure parameters

• Chemical name: (1-Phenylsulfonyl-1<i>H</i>-indol-2-yl)(thiophen-2-yl)methanone
• Formula: C19 H13 N O3 S2
• Calculated formula: C19 H13 N O3 S2
• SMILES: O=C(c1cc2c(n1S(=O)(=O)c1ccccc1)cccc2)c1cccs1
• Title of publication: (1-Phenylsulfonyl-1<i>H</i>-indol-2-yl)(thiophen-2-yl)methanone
• Authors of publication: KamalaKumar, C.; Dhayalan, V.; Mohanakrishnan, A. K.; Balasubramanian, V.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o741
• a: 9.3605 ± 0.0005 Å
• b: 10.8455 ± 0.0005 Å
• c: 17.5482 ± 0.0009 Å
• α: 88.716 ± 0.003°
• β: 80.425 ± 0.002°
• γ: 71.467 ± 0.002°
• Cell volume: 1664.68 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.2453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes