Information card for entry 2223112

Structure parameters

• Chemical name: 2,6-Diphenyl-4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarbonitrile
• Formula: C23 H15 N3 S
• Calculated formula: C23 H15 N3 S
• SMILES: N#CC1=C(NC(=C(C1c1cccs1)C#N)c1ccccc1)c1ccccc1
• Title of publication: 2,6-Diphenyl-4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarbonitrile
• Authors of publication: Zhu, Xiao-Tong; Zhang, Ge; Ma, Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2246
• a: 11.2726 ± 0.0014 Å
• b: 11.8903 ± 0.0015 Å
• c: 14.5544 ± 0.0017 Å
• α: 86.571 ± 0.002°
• β: 88.755 ± 0.002°
• γ: 81.249 ± 0.001°
• Cell volume: 1924.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes