Information card for entry 7100998

Structure parameters

• Common name: Haloperidol and Saccharin molecular complex
• Formula: C28 H28 Cl F N2 O5 S
• Calculated formula: C28 H28 Cl F N2 O5 S
• SMILES: S1(=O)(=O)[N-]C(=O)c2ccccc12.Clc1ccc(C2(O)CC[NH+](CC2)CCCC(=O)c2ccc(F)cc2)cc1
• 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: 19.0609 ± 0.001 Å
• b: 7.2197 ± 0.0004 Å
• c: 21.5624 ± 0.0012 Å
• α: 90°
• β: 113.961 ± 0.002°
• γ: 90°
• Cell volume: 2711.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No