Information card for entry 2010137

Structure parameters

• Formula: C12 H15 N O2 S
• Calculated formula: C12 H15 N O2 S
• SMILES: CC(c1cn2c(c1S(=O)(=O)C)cccc2)C
• Title of publication: Molecular structure and electronic properties of a 1-sulfonylindolizine derivative, 2-isopropyl-1-methylsulfonylindolizine
• Authors of publication: Gibon, V.; Evrard, G.; Vercauteren, D.P.; Durant, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1749 - 1753
• a: 12.307 ± 0.002 Å
• b: 8.305 Å
• c: 12.516 ± 0.002 Å
• α: 90°
• β: 108.29 ± 0.05°
• γ: 90°
• Cell volume: 1214.6 ± 0.4 ų
• 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
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No