首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >1-{(E)-[3-(1H-Imidazol-1-yl)-1-(4-meth-oxy-phen-yl)propyl-idene]amino}-3-(2-methyl-phen-yl)urea
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1-{(E)-[3-(1H-Imidazol-1-yl)-1-(4-meth-oxy-phen-yl)propyl-idene]amino}-3-(2-methyl-phen-yl)urea

机译:1-{(E)-[3-(1H-咪唑-1-基)-1-(4-甲基-氧-苯基-丙基)丙基]亚氨基} -3-(2-甲基-苯基尿素

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摘要

In the title compound, C21H23N5O2, the conformation about the imine bond [1.287?(3)??] is E. Overall, the mol-ecule has a disk shape, the dihedral angles between the imidazole ring and the meth-oxy-phenyl and methyl-phenyl rings being 49.42?(13) and 42.62?(13)°, respectively; the dihedral angle between the benzene rings is 20.11?(11)°. In the urea moiety, the N—H atoms are anti to each other and one of these forms an intra-molecular N—H?N hydrogen bond. In the crystal, centrosymmetric dimers are formed via N—H?N(imidazole) hydrogen bonds, which are connected into a three-dimensional architecture by C—H?O(carbon-yl) and (methyl-ene)C—H?π inter-actions. The crystal studied was a non-merohedral twin with a minor component of 48.3?(1)%.
机译:在标题化合物C21H23N5O2中,关于亚胺键[1.287?(3)??]的构象为E。总的来说,该分子为圆盘状,咪唑环与甲基-氧基-苯基之间的二面角甲基-苯环分别为49.42°(13)和42.62°(13)°。苯环之间的二面角为20.11?(11)°。在尿素部分中,NH原子彼此相反,并且其中一个形成分子内NH 3 N氢键。在晶体中,通过NH 3 N(咪唑)氢键形成中心对称的二聚体,它们通过CH 2 O(碳基)和(亚甲基)CH 3连接成三维结构。 π相互作用。所研究的晶体是非四面体孪晶,微量成分为48.3?(1)%。

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