Information card for entry 7249245

Structure parameters

• Common name: Nifedipine
• Chemical name: dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C17 H18 N2 O6
• Calculated formula: C17 H18 N2 O6
• Title of publication: Montmorillonite K-10 catalyzed synthesis of Hantzsch dihydropyridine derivatives from methyl arenes <i>via in situ</i> generated ammonia under microwave irradiation in neat conditions.
• Authors of publication: Singh, Vishal; Rajput, Khushbu; Singh, Sundaram; Srivastava, Vandana
• Journal of publication: RSC advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 37
• Pages of publication: 27086 - 27091
• a: 10.9599 ± 0.0003 Å
• b: 10.3802 ± 0.0004 Å
• c: 14.7603 ± 0.0004 Å
• α: 90°
• β: 92.621 ± 0.003°
• γ: 90°
• Cell volume: 1677.46 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1041
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2781
• Weighted residual factors for all reflections included in the refinement: 0.2991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No