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1-（2,5-二氯-3-噻吩基）乙酮：由O⋯Cl卤键介导的无限层结构。

1-(2,5-Dichloro-3-thien-yl)ethanone: infinite sheets mediated by O⋯Cl halogen bonds.

作者信息

Harrison William T A, Chidan Kumar C S, Yathirajan H S, Mayekar A N, Narayana B

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 4;66(Pt 10):o2480. doi: 10.1107/S1600536810035154.

DOI:10.1107/S1600536810035154
PMID:21587481
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983218/
Abstract

In the title compound, C(6)H(4)Cl(2)OS, the acetyl group is almost coplanar with the thio-phene ring [dihedral angle = 4.01 (2)°]. In the crystal, short inter-molecular O⋯Cl contacts [2.9494 (14) and 3.1191 (14) Å] link the mol-ecules into infinite (100) sheets and aromatic π-π stacking [centroid-centroid separation = 3.5422 (10) Å] consolidates the packing.

摘要

在标题化合物C(6)H(4)Cl(2)OS中，乙酰基与噻吩环几乎共面[二面角 = 4.01 (2)°]。在晶体中，短的分子间O⋯Cl接触[2.9494 (14) 和3.1191 (14) Å]将分子连接成无限的(100)层，芳香π-π堆积[质心-质心间距 = 3.5422 (10) Å]巩固了堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7386/2983218/ad1005101466/e-66-o2480-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7386/2983218/3a75e3b1a859/e-66-o2480-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7386/2983218/ad1005101466/e-66-o2480-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7386/2983218/3a75e3b1a859/e-66-o2480-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7386/2983218/ad1005101466/e-66-o2480-fig2.jpg

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