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N-（2,4-二氯苯基）-1,3-噻唑-2-胺

N-(2,4-Dichloro-phen-yl)-1,3-thia-zol-2-amine.

作者信息

Babar Ayesha, Munawar Munawar Ali, Tahir M Nawaz, Ullah Fateh, Tariq Muhammad Ilyas

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2704. doi: 10.1107/S1600536812035301. Epub 2012 Aug 15.

DOI:10.1107/S1600536812035301
PMID:22969593
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3435722/
Abstract

In the title mol-ecule, C(9)H(6)Cl(2)N(2)S, the mean planes of the benzene and thia-zole rings make a dihedral angle of 54.18 (8)°. In the crystal, mol-ecules are joined into dimers with an R(2) (2)(8) ring motif by pairs of N-H⋯N hydrogen bonds. These dimers are linked by C-H⋯Cl inter-actions into layers parallel to (011). The thia-zole rings form columns along the c-axis direction, with a centroid-centroid separation of 3.8581 (9) Å, indicating π-π inter-actions. An intra-molecular C-H⋯S contact also occurs.

摘要

在标题分子C(9)H(6)Cl(2)N(2)S中，苯环和噻唑环的平均平面形成的二面角为54.18 (8)°。在晶体中，分子通过N-H⋯N氢键对以R(2) (2)(8)环模式连接成二聚体。这些二聚体通过C-H⋯Cl相互作用连接成平行于(011)的层。噻唑环沿c轴方向形成柱，质心间距为3.8581 (9) Å，表明存在π-π相互作用。还存在分子内C-H⋯S接触。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d48/3435722/d1bbfc45b3b8/e-68-o2704-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d48/3435722/8157ec207a5c/e-68-o2704-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d48/3435722/d1bbfc45b3b8/e-68-o2704-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d48/3435722/8157ec207a5c/e-68-o2704-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d48/3435722/d1bbfc45b3b8/e-68-o2704-fig2.jpg

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