Information card for entry 1100667

Structure parameters

• Formula: C6 H6 Cl2 N2 O4 S2
• Calculated formula: C6 H6 Cl2 N2 O4 S2
• SMILES: Clc1c(S(=O)(=O)N)cc(S(=O)(=O)N)cc1Cl
• Title of publication: Crystal Structure of Dichlorphenamide
• Authors of publication: Haramura, Masayuki; Yanaka, Akito; Akimoto, Toshio; Hirayama, Noriaki
• Journal of publication: Analytical Sciences: X-ray Structure Analysis Online
• Year of publication: 2003
• Journal volume: 19
• Pages of publication: x35 - x36
• a: 17.202 ± 0.002 Å
• b: 7.9139 ± 0.0009 Å
• c: 16.507 ± 0.003 Å
• α: 90°
• β: 94.716 ± 0.009°
• γ: 90°
• Cell volume: 2239.5 ± 0.5 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.5419 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No