Information card for entry 2001924

Structure parameters

• Formula: C2 H4 N4 O2 S2
• Calculated formula: C2 H4 N4 O2 S2
• SMILES: Nc1nnc(s1)S(=O)(=O)N
• Title of publication: Structure of 5-amino-1,3,4-thiadiazole-2-sulfonamide, an inhibitor of the enzyme carbonic anhydrase
• Authors of publication: Pedregosa, J. C.; Alzuet, G.; Borrás, J.; Fustero, S.; García-Granda, S.; Díaz, M. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 630 - 633
• a: 7.516 ± 0.0002 Å
• b: 10.536 ± 0.002 Å
• c: 8.342 ± 0.002 Å
• α: 90°
• β: 95.69 ± 0.01°
• γ: 90°
• Cell volume: 657.3 ± 0.2 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.035
• Goodness-of-fit parameter for significantly intense reflections: 9.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No