Information card for entry 2312375

Structure parameters

• Common name: nimodipine DMSO
• Chemical name: (rac)-3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)- 1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C23 H32 N2 O8 S
• Calculated formula: C23 H32 N2 O8 S
• 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: 9.505 ± 0.0008 Å
• b: 11.865 ± 0.001 Å
• c: 12.7533 ± 0.001 Å
• α: 63.606 ± 0.002°
• β: 77.493 ± 0.002°
• γ: 89.029 ± 0.002°
• Cell volume: 1252.59 ± 0.18 ų
• Cell temperature: 150.01 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes