Information card for entry 7211642

Structure parameters

• Chemical name: 3,5-difluoro-1,2,3,5-dithiadiazolyl
• Formula: C7 H3 F2 N2 S2
• Calculated formula: C7 H3 F2 N2 S2
• Title of publication: The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals
• Authors of publication: Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 172
• a: 7.058 ± 0.003 Å
• b: 15.045 ± 0.005 Å
• c: 16.258 ± 0.006 Å
• α: 66.79 ± 0.03°
• β: 84.17 ± 0.03°
• γ: 80.4 ± 0.03°
• Cell volume: 1563.2 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1235
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No