Information card for entry 2005163

Structure parameters

• Formula: C7 H10 Cl N3 O4 S2
• Calculated formula: C7 H10 Cl N3 O4 S2
• SMILES: O=C(Nc1nnc(s1)S(=O)(=O)Cl)OC(C)(C)C
• Title of publication: A New Precursor of 1,3,4-Thiadiazolesulfonamides: 5-<i>tert</i>-Butyloxycarbonylamino-1,3,4-thiadiazole-2-sulfonyl Chloride
• Authors of publication: Pedregosa, J. C.; Borrás, J.; Fustero, S.; García-Granda, S.; Díaz, M. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1849 - 1851
• a: 9.743 ± 0.006 Å
• b: 19.027 ± 0.004 Å
• c: 6.973 ± 0.003 Å
• α: 90°
• β: 100.68 ± 0.04°
• γ: 90°
• Cell volume: 1270.3 ± 1 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for significantly intense reflections: 2.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No