Information card for entry 7232225

Structure parameters

• Chemical name: 2-oxo-3,4-dichloro-2,5-dihydrofuran-5-ylsulfonyl) ethanoic acid
• Formula: C6 H4 Cl2 O6 S
• Calculated formula: C6 H4 Cl2 O6 S
• Title of publication: “Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds
• Authors of publication: Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 1499
• a: 7.2451 ± 0.001 Å
• b: 7.8674 ± 0.001 Å
• c: 16.65 ± 0.002 Å
• α: 87.647 ± 0.009°
• β: 86.278 ± 0.009°
• γ: 83.882 ± 0.009°
• Cell volume: 941.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0357
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No