Information card for entry 2312374

Structure parameters

• Common name: nimodipine
• Chemical name: (rac)-3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C21 H26 N2 O7
• Calculated formula: C21 H26 N2 O7
• 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: 13.8103 ± 0.0002 Å
• b: 10.7631 ± 0.0002 Å
• c: 14.8187 ± 0.0003 Å
• α: 90°
• β: 104.604 ± 0.002°
• γ: 90°
• Cell volume: 2131.51 ± 0.07 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes