Information card for entry 1519249

Structure parameters

• Formula: C10 H11 N3 O2 S2
• Calculated formula: C10 H11 N3 O2 S2
• SMILES: N1N=C(C)SC1=NS(=O)(=O)c1ccc(cc1)C
• Title of publication: 4-Methyl-N-(5-methyl-3H-[1,3,4]thiadiazol-2-ylidene)-benzenesulfonamide
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 195
• a: 6.2197 ± 0.0012 Å
• b: 8.1201 ± 0.0016 Å
• c: 12.208 ± 0.002 Å
• α: 103.18 ± 0.03°
• β: 91.76 ± 0.03°
• γ: 104.15 ± 0.03°
• Cell volume: 579.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.669
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No