Information card for entry 2242516

Structure parameters

• Common name: 6-(Phenylsulfonyl)-6H-thieno[3,2-c]carbazole
• Chemical name: 6-Phenylsulfonyl-6<i>H</i>-thieno[3,2-<i>c</i>]carbazole
• Formula: C20 H13 N O2 S2
• Calculated formula: C20 H13 N O2 S2
• SMILES: c1cccc2c1n(c1c2c2c(cc1)ccs2)S(=O)(=O)c1ccccc1
• Title of publication: Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenylsulfonyl-6<i>H</i>-thieno[3,2-<i>c</i>]carbazole
• Authors of publication: Mohamooda Sumaya, U.; Sankar, E.; Arasambattu MohanaKrishnan, K.; Biruntha, K.; Usha, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 7
• Pages of publication: 878 - 883
• a: 7.6461 ± 0.0008 Å
• b: 9.8772 ± 0.0009 Å
• c: 11.2191 ± 0.0012 Å
• α: 72.571 ± 0.005°
• β: 88.496 ± 0.006°
• γ: 86.144 ± 0.006°
• Cell volume: 806.54 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0908
• 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