Information card for entry 7217787

Structure parameters

• Common name: Ezetimibe-Formamide
• Chemical name: Ezetimibe-Formamide
• Formula: C25 H24 F2 N2 O4
• Calculated formula: C25 H24 F2 N2 O4
• SMILES: O[C@@H](c1ccc(F)cc1)CC[C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)cc1.O=CN
• Title of publication: New cocrystals of ezetimibe withl-proline and imidazole
• Authors of publication: Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 8984
• a: 6.14 ± 0.0002 Å
• b: 17.077 ± 0.0007 Å
• c: 21.35 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2238.61 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0986
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No