Information card for entry 2206635

Structure parameters

• Chemical name: 1-(4-fluorophenyl)-3(R)-[3-(4-fluorophenyl)-3(S)-hydroxypropyl]-4(S)- (4-hydroxyphenyl)azetidin-2-one monohydrate
• Formula: C24 H23 F2 N O4
• Calculated formula: C24 H23 F2 N O4
• SMILES: Fc1ccc(N2C(=O)[C@@H]([C@H]2c2ccc(O)cc2)CC[C@H](O)c2ccc(F)cc2)cc1.O
• Title of publication: Ezetimibe monohydrate
• Authors of publication: Ravikumar, Krishnan; Sridhar, Balasubramanian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2907 - o2909
• a: 6.2396 ± 0.0004 Å
• b: 15.4657 ± 0.001 Å
• c: 22.332 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2155 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes