Nguyen Tien Cong, Vu Quoc Trung, Nguyen Dang Dat, Le Duc Giang, Van Meervelt Luc
Faculty of Chemistry, Ho Chi Minh City University of Education, 280 An Duong Vuong Street, Ho Chi Minh City, 72711, Vietnam.
Faculty of Chemistry, Hanoi National University of Education, 136 Xuan Thuy, Cau Giay, Hanoi, 11310, Vietnam.
Acta Crystallogr E Crystallogr Commun. 2021 Jan 29;77(Pt 2):184-189. doi: 10.1107/S2056989021000864. eCollection 2021 Feb 1.
The title compound -(4-meth-oxy-phen-yl)-2-[4-(3-oxo-3-phenyl-prop-1-en-1-yl)phen-oxy]acetamide, CHNO, was prepared from reaction of -(4-meth-oxy-phen-yl)-2-chloro-acetamide and ()-3-(4-hy-droxy-phen-yl)-1-phenyl-prop-2-en-1-one, which was obtained from the reaction of 4-hy-droxy-benzaldehyde and aceto-phenone. The structure of the title compound was determined by IR, H-NMR, C-NMR and HR-MS spectroscopic data and further characterized by single-crystal X-ray diffraction. The asymmetric unit contains four mol-ecules, each displaying an -configuration of the C=C bond. The dihedral angle between the phenyl rings in each mol-ecule varies between 14.9 (2) and 45.8 (2)°. In the crystal, C-H⋯O hydrogen-bonding inter-actions link the mol-ecules into chains running along the [001] direction. In addition, C-H⋯π inter-actions further stabilize the crystal packing. A Hirshfeld analysis indicates that the most important contributions to the surface contacts are from H⋯H (43.6%), C⋯H/H⋯C (32.1%) and O⋯H/H⋯O (18.1%) inter-actions.
标题化合物——(4-甲氧基苯基)-2-[4-(3-氧代-3-苯基丙-1-烯-1-基)苯氧基]乙酰胺，CHNO，由(4-甲氧基苯基)-2-氯乙酰胺与(±)-3-(4-羟基苯基)-1-苯基丙-2-烯-1-酮反应制备而成，后者由4-羟基苯甲醛与苯乙酮反应得到。通过红外光谱、氢核磁共振谱、碳核磁共振谱和高分辨质谱数据确定了标题化合物的结构，并通过单晶X射线衍射进一步表征。不对称单元包含四个分子，每个分子中碳碳双键均呈Z构型。每个分子中苯环之间的二面角在14.9(2)°至45.8(2)°之间变化。在晶体中，C-H⋯O氢键相互作用将分子连接成沿[001]方向延伸的链。此外，C-H⋯π相互作用进一步稳定了晶体堆积。 Hirshfeld分析表明，对表面接触贡献最大的是H⋯H(43.6%)、C⋯H/H⋯C(32.1%)和O⋯H/H⋯O(18.1%)相互作用。
