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2-苯胺基-3-(2-羟丙基)-4-甲基-1,3-噻唑-3-鎓氯化物

2-Anilino-3-(2-hy-droxy-prop-yl)-4-methyl-1,3-thia-zol-3-ium chloride.

作者信息

Mohamed Shaaban K, Akkurt Mehmet, Tahir Muhammad N, Abdelhamid Antar A, Khalilov Ali N

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1881-2. doi: 10.1107/S1600536812023197. Epub 2012 May 26.

DOI:10.1107/S1600536812023197
PMID:22719640
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3379442/
Abstract

In the title compound, C(13)H(17)N(2)OS(+)·Cl(-), the thia-zolium ring mean plane makes a dihedral angle of 55.46 (9)° with the benzene ring. In the propanol group, the N-C-C-C and N-C-C-O torsion angles are 172.58 (15) and 52.9 (2)°, respectively, and the S-C-C-C torsion angle is 178.99 (18)°. In the crystal, mol-ecules are linked by O-H⋯Cl and N-H⋯Cl hydrogen bonds, forming zigzag chains along [001]. There is also a C-H⋯Cl inter-action present.

摘要

在标题化合物C(13)H(17)N(2)OS(+)·Cl(-)中，噻唑鎓环平均平面与苯环形成的二面角为55.46 (9)°。在丙醇基团中，N-C-C-C和N-C-C-O扭转角分别为172.58 (15)°和52.9 (2)°，S-C-C-C扭转角为178.99 (18)°。在晶体中，分子通过O-H⋯Cl和N-H⋯Cl氢键相连，沿[001]方向形成锯齿链。还存在C-H⋯Cl相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0692/3379442/35838b7fb6e7/e-68-o1881-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0692/3379442/d58c0787ed53/e-68-o1881-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0692/3379442/35838b7fb6e7/e-68-o1881-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0692/3379442/d58c0787ed53/e-68-o1881-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0692/3379442/35838b7fb6e7/e-68-o1881-fig2.jpg

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