Information card for entry 7204386

Structure parameters

• Formula: C8 H6 Cl N3 O2 S4
• Calculated formula: C8 H6 Cl N3 O2 S4
• Title of publication: Conversion of tetrazoles into hydrazonoyl chlorides. Novel donor‒dithiazolium interactions
• Authors of publication: Rees, Charles W.; Sivadasan, Sivaprasad; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 1535
• a: 8.314 ± 0.002 Å
• b: 9.068 ± 0.003 Å
• c: 9.915 ± 0.003 Å
• α: 112.17 ± 0.02°
• β: 97.07 ± 0.02°
• γ: 100.08 ± 0.02°
• Cell volume: 666.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.1153
• Weighted residual factors for significantly intense reflections: 0.1017
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No