Information card for entry 2208024

Structure parameters

• Chemical name: 3-Chloro-1-phenylsulfonyl-1H-indole-2-carbaldehyde
• Formula: C15 H10 Cl N O3 S
• Calculated formula: C15 H10 Cl N O3 S
• SMILES: c1(c(c2c(cccc2)n1S(=O)(=O)c1ccccc1)Cl)C=O
• Title of publication: 3-Chloro-1-phenylsulfonyl-1<i>H</i>-indole-2-carbaldehyde
• Authors of publication: K. Palani; M. N. Ponnuswamy; P. Jaisankar; P. C. Srinivasan; M. Nethaji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o437 - o439
• a: 8.048 ± 0.002 Å
• b: 9.568 ± 0.003 Å
• c: 9.931 ± 0.003 Å
• α: 79.433 ± 0.004°
• β: 82.145 ± 0.004°
• γ: 69.839 ± 0.004°
• Cell volume: 703.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes