Information card for entry 2005685

Structure parameters

• Chemical name: acetyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate
• Formula: C15 H15 Cl N2 O7 S
• Calculated formula: C15 H15 Cl N2 O7 S
• SMILES: c1(c(cc(c(c1)S(=O)(=O)N)Cl)NCc1ccco1)C(=O)OCOC(=O)C
• Title of publication: Acetoxymethyl 4-Chloro-<i>N</i>-furfuryl-5-sulfamoylanthranilate, an Absorption Furosemide Prodrug
• Authors of publication: González, O. A.; Mombrú, A. W.; Suescun, L. P.; Mariezcurrena, R. A.; Manta, E.; Prandi, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2875 - 2878
• a: 8.502 ± 0.002 Å
• b: 9.653 ± 0.003 Å
• c: 11.767 ± 0.002 Å
• α: 72.01°
• β: 74.57°
• γ: 72.74°
• Cell volume: 860.8 ± 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: 0.1086
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections: 0.1437
• Weighted residual factors for significantly intense reflections: 0.1179
• Goodness-of-fit parameter for all reflections: 0.93
• Goodness-of-fit parameter for significantly intense reflections: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No