Information card for entry 2312368

Structure parameters

• Common name: felodipine
• Chemical name: (rac)-3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4- dihydropyridine-3,5-dicarboxylate
• Formula: C18 H19 Cl2 N O4
• Calculated formula: C18 H19 Cl2 N O4
• Title of publication: High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.
• Authors of publication: Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 1
• Pages of publication: 4 - 12
• a: 11.1017 ± 0.0007 Å
• b: 12.5717 ± 0.0007 Å
• c: 13.5023 ± 0.0008 Å
• α: 90°
• β: 107.056 ± 0.006°
• γ: 90°
• Cell volume: 1801.6 ± 0.19 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes