Information card for entry 7232226

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: 7.7319 ± 0.0005 Å
• b: 9.613 ± 0.0007 Å
• c: 13.2774 ± 0.0009 Å
• α: 90°
• β: 96.761 ± 0.002°
• γ: 90°
• Cell volume: 980 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No