Information card for entry 8106297

Structure parameters

• Chemical name: (E)-2-(4-bromophenyl)ethenesulfonyl fluoride
• Formula: C8 H6 Br F O2 S
• Calculated formula: C8 H6 Br F O2 S
• Title of publication: Crystal structure of (E)-2-(4-bromophenyl)ethenesulfonyl fluoride (C8H6BrFO2S)
• Authors of publication: Khumalo, Mzilikazi; Samipillai, Marivel; Govender, Thavendran; Kruger, Hendrick Gert; Naicker, Tricia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 793 - 794
• a: 4.7846 ± 0.0002 Å
• b: 9.6099 ± 0.0004 Å
• c: 10.326 ± 0.0004 Å
• α: 90°
• β: 103.137 ± 0.001°
• γ: 90°
• Cell volume: 462.36 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No