Information card for entry 2221361

Structure parameters

• Chemical name: (<i>E</i>)-2-(4-Methoxyphenyl)-<i>N</i>-(2-pyridyl)-3-(2-pyridylamino)acrylamide
• Formula: C20 H18 N4 O2
• Calculated formula: C20 H18 N4 O2
• SMILES: N(/C=C(\c1ccc(OC)cc1)C(=O)Nc1ncccc1)c1ncccc1
• Title of publication: (<i>E</i>)-2-(4-Methoxyphenyl)-<i>N</i>-(2-pyridyl)-3-(2-pyridylamino)acrylamide
• Authors of publication: Xiao, Zhu-Ping; Peng, Xiao-Chun; Wang, Ying-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o672
• a: 11.546 ± 0.002 Å
• b: 12.148 ± 0.002 Å
• c: 14.006 ± 0.003 Å
• α: 90°
• β: 113.74 ± 0.03°
• γ: 90°
• Cell volume: 1798.3 ± 0.7 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: 0.1891
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes