Information card for entry 2239028

Structure parameters

• Chemical name: 2-Methoxy-4,6-diphenylnicotinonitrile
• Formula: C19 H14 N2 O
• Calculated formula: C19 H14 N2 O
• SMILES: COc1nc(cc(c1C#N)c1ccccc1)c1ccccc1
• Title of publication: 2-Methoxy-4,6-diphenylnicotinonitrile
• Authors of publication: Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Al-Swaidan, Ibrahim A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o228
• a: 15.0686 ± 0.0016 Å
• b: 24.327 ± 0.003 Å
• c: 3.8986 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1429.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes