Information card for entry 7100996

Structure parameters

• Common name: Piroxicam and Saccharin molecular complex
• Formula: C22 H18 N4 O7 S2
• Calculated formula: C22 H18 N4 O7 S2
• SMILES: S1(=O)(=O)N(C(=C([O-])c2c1cccc2)C(=O)Nc1[nH+]cccc1)C.S1(=O)(=O)c2ccccc2C(=O)N1
• Title of publication: Saccharin as a salt former. Enhanced solubilities of saccharinates of active pharmaceutical ingredients.
• Authors of publication: Prashant M. Bhatt; Nittala V. Ravindra; Rahul Banerjee; Gautam R. Desiraju
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 9.5117 ± 0.0008 Å
• b: 10.3862 ± 0.0009 Å
• c: 12.6635 ± 0.0011 Å
• α: 66.983 ± 0.002°
• β: 71.011 ± 0.002°
• γ: 89.38 ± 0.002°
• Cell volume: 1078.99 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No