Information card for entry 7057457

Structure parameters

• Chemical name: 2-chloro (methylsulfonyl) methanesulfonate
• Formula: C4 H9 Cl O5 S2
• Calculated formula: C4 H9 Cl O5 S2
• Title of publication: Synthesis, characterization and crystal structure of 2-chloroethyl(methylsulfonyl)methanesulfonate
• Authors of publication: Galván, J. E.; Defonsi Lestard, M. E.; Piro, O. E.; Echeverria, G.; Molina, R. D. I.; Arena, M. E.; Ulic, S. E.; Tuttolomondo, M. E.; Ben Altabef, A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 11073
• a: 9.4479 ± 0.0007 Å
• b: 5.5001 ± 0.0003 Å
• c: 10.065 ± 0.0007 Å
• α: 90°
• β: 112.633 ± 0.009°
• γ: 90°
• Cell volume: 482.74 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No