Information card for entry 2235996

Structure parameters

• Chemical name: 2-Ethoxy-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
• Formula: C21 H18 N2 O
• Calculated formula: C21 H18 N2 O
• SMILES: O(c1nc(cc(c1C#N)c1ccc(cc1)C)c1ccccc1)CC
• Title of publication: 2-Ethoxy-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
• Authors of publication: Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Singh, Kuldip; El-Remaily, Mahoud A. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2495 - o2496
• a: 14.786 ± 0.003 Å
• b: 14.634 ± 0.003 Å
• c: 15.399 ± 0.003 Å
• α: 90°
• β: 92.288 ± 0.004°
• γ: 90°
• Cell volume: 3329.4 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1351
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes