...
首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure and theoretical study of N,N-bis­[(5-chloro-2-oxo-2,3-di­hydro­benzo[d]oxazol-3-yl)meth­yl]-2-phenyl­ethanamine
【24h】

Crystal structure and theoretical study of N,N-bis­[(5-chloro-2-oxo-2,3-di­hydro­benzo[d]oxazol-3-yl)meth­yl]-2-phenyl­ethanamine

机译:N,N-双[(5-氯-2-氧代-2,3-二氢苯并[d]恶唑-3-基)甲基] -2-苯基乙胺的晶体结构和理论研究

获取原文
           

摘要

In the mol­ecular structure of the title compound, C24H19Cl2N3O4, the three C atoms of the central N,N-di­methyl­methanamine moiety are bonded to the N atoms of the two 5-chloro-1,3-benzoxazol-2(3H)-one groups and to the methyl C atom of the methyl­benzene group. One of the nine-membered 2,3-di­hydro-1,3-benzoxazole rings and the phenyl ring are almost parallel to each other, making a dihedral angle of 5.30 (18)°, but they are almost normal to the mean plane of the other nine-membered 2,3-di­hydro-1,3-benzoxazole ring, subtending dihedral angles of 89.29 (16) and 85.41 (18)°, respectively. The crystal structure features C—H⋯O hydrogen bonds and π–π stacking inter­actions [centroid-to-centroid distances = 3.5788 (19) Å, slippage = 0.438 and 3.7773 (16) Å, and slippage = 0.716 Å].
机译:在标题化合物C24H19Cl2N3O4的分子结构中,中心N,N-二甲基甲胺部分的三个C原子与两个5-氯-1,3-苯并恶唑-2(3H)-基团的N原子键合和对甲基苯基的甲基C原子。九元的2,3-二氢-1,3-苯并恶唑环之一与苯环几乎彼此平行,二面角为5.30(18)°,但它们几乎垂直于另一个九元2,3-二氢-1,3-苯并恶唑环,对角二面角分别为89.29(16)和85.41(18)°。晶体结构具有C–H⋯O氢键和π–π堆积相互作用[质心到质心的距离= 3.5788(19)Å,滑移= 0.438和3.7773(16)Å,滑移= 0.716Å]。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号