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三种紧密相关的(2,2')-3,3'-(1,4-亚苯基)双-[1-(甲氧基苯基)丙-2-烯-1-酮]：通过氢键和C-H⋯π相互作用介导的一维超分子组装体。

Three closely related (2,2')-3,3'-(1,4-phenyl-ene)bis-[1-(meth-oxy-phen-yl)prop-2-en-1-ones]: supra-molecular assemblies in one dimension mediated by hydrogen bonding and C-H⋯π inter-actions.

作者信息

Sim Aijia, Chidan Kumar C S, Kwong Huey Chong, Then Li Yee, Win Yip-Foo, Quah Ching Kheng, Naveen S, Chandraju S, Lokanath N K, Warad Ismail

机构信息

X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.

Department of Engineering Chemistry, Vidya Vikas Institute of Engineering &, Technology, Visvesvaraya Technological University, Alanahalli, Mysuru 570 028, Karnataka, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 May 26;73(Pt 6):896-900. doi: 10.1107/S2056989017007460. eCollection 2017 Jun 1.

DOI:10.1107/S2056989017007460
PMID:28638654
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5458319/
Abstract

In the title compounds, (2,2')-3,3'-(1,4-phenyl-ene)bis-[1-(2-meth-oxy-phen-yl)prop-2-en-1-one], CHO (I), (2,2')-3,3'-(1,4-phenyl-ene)bis-[1-(3-meth-oxy-phen-yl)prop-2-en-1-one], CHO (II) and (2,2')-3,3'-(1,4-phenyl-ene)bis-[1-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one], CHO (III), the asymmetric unit consists of a half-mol-ecule, completed by crystallographic inversion symmetry. The dihedral angles between the central and terminal benzene rings are 56.98 (8), 7.74 (7) and 7.73 (7)° for (I), (II) and (III), respectively. In the crystal of (I), mol-ecules are linked by pairs of C-H⋯π inter-actions into chains running parallel to [101]. The packing for (II) and (III), features inversion dimers linked by pairs of C-H⋯O hydrogen bonds, forming (16) and (14) ring motifs, respectively, as parts of [201] and [101] chains, respectively.

摘要

在标题化合物（2,2'）-3,3'-（1,4-亚苯基）双-[1-（2-甲氧基苯基）丙-2-烯-1-酮]，CHO（I）、（2,2'）-3,3'-（1,4-亚苯基）双-[1-（3-甲氧基苯基）丙-2-烯-1-酮]，CHO（II）和（2,2'）-3,3'-（1,4-亚苯基）双-[1-（3,4-二甲氧基苯基）丙-2-烯-1-酮]，CHO（III）中，不对称单元由一个半分子组成，通过晶体学倒转对称性完成。对于（I）、（II）和（III），中心苯环与末端苯环之间的二面角分别为56.98 (8)、7.74 (7)和7.73 (7)°。在（I）的晶体中，分子通过成对的C-H⋯π相互作用连接成平行于[101]的链。（II）和（III）的堆积特征是通过成对的C-H⋯O氢键连接的反演二聚体，分别形成（16）和（14）环基序，分别作为[201]和[101]链的一部分。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c1a/5458319/e1f5339279a2/e-73-00896-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c1a/5458319/2976379d899b/e-73-00896-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c1a/5458319/d33dcbd84780/e-73-00896-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c1a/5458319/9df60b6b24b5/e-73-00896-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c1a/5458319/659794fb77f4/e-73-00896-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c1a/5458319/ba13eda05e55/e-73-00896-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c1a/5458319/e1f5339279a2/e-73-00896-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c1a/5458319/2976379d899b/e-73-00896-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c1a/5458319/d33dcbd84780/e-73-00896-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c1a/5458319/9df60b6b24b5/e-73-00896-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c1a/5458319/659794fb77f4/e-73-00896-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c1a/5458319/ba13eda05e55/e-73-00896-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c1a/5458319/e1f5339279a2/e-73-00896-fig6.jpg

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