Information card for entry 2228196

Structure parameters

• Chemical name: 2-Amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-phenylnicotinonitrile
• Formula: C20 H17 N3 O3
• Calculated formula: C20 H17 N3 O3
• SMILES: O(c1cc(c2cc(nc(N)c2C#N)c2ccccc2)cc(OC)c1O)C
• Title of publication: 2-Amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-phenylnicotinonitrile
• Authors of publication: Yang, Xiao-Hui; Zhou, Yong-Hong; Hu, Li-Hong; Liu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2746
• a: 8.132 ± 0.0016 Å
• b: 10.497 ± 0.002 Å
• c: 10.914 ± 0.002 Å
• α: 77.28 ± 0.03°
• β: 68.36 ± 0.03°
• γ: 84.66 ± 0.03°
• Cell volume: 844.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1195
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes