Information card for entry 2001738

Structure parameters

• Formula: C10 H10 Cl N3 O2 S
• Calculated formula: C10 H10 Cl N3 O2 S
• SMILES: Cc1nn(c(c1S(=O)(=O)N)Cl)c1ccccc1
• Title of publication: Structures of pyrazole derivatives. II. A potential bioisoster of acetazolamide
• Authors of publication: Iulek, J.; Zukerman-Schpector, J.; Barreiro, E. J.; Freitas, A. C. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1015 - 1017
• a: 12.135 ± 0.002 Å
• b: 13.572 ± 0.001 Å
• c: 8.75 ± 0.001 Å
• α: 90°
• β: 118.37 ± 0.01°
• γ: 90°
• Cell volume: 1268 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for significantly intense reflections: 1.53
• Diffraction radiation wavelength: 0.70926 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No