Information card for entry 2008035

Structure parameters

• Chemical name: pivaloyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate
• Formula: C18 H21 Cl N2 O7 S
• Calculated formula: C18 H21 Cl N2 O7 S
• SMILES: c1(c(cc(c(c1)S(=O)(=O)N)Cl)NCc1ccco1)C(=O)OCOC(=O)C(C)(C)C
• Title of publication: Three Isostructural Furosemide Prodrugs
• Authors of publication: Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; González, Oscar A.; Manta, Eduardo; Prandi, Carolina
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1911 - 1915
• a: 10.677 ± 0.002 Å
• b: 12.374 ± 0.002 Å
• c: 8.946 ± 0.002 Å
• α: 110.41 ± 0.02°
• β: 107.9 ± 0.02°
• γ: 99.5 ± 0.02°
• Cell volume: 1003.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.194
• Weighted residual factors for significantly intense reflections: 0.162
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No