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（S）-[5-甲基-3-（3-甲硫基-苯并-2-基）-4,5-二氢异恶唑-5-基]甲醇

(S)-[5-Methyl-3-(3-methyl-thio-phen-2-yl)-4,5-dihydro-isoxazol-5-yl]methanol.

作者信息

Ko Young Kwan, Ryu Jae Wook, Koo Dong Wan, Woo Jae Choon, Kim Chong-Hyeak

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1040. doi: 10.1107/S1600536811011639. Epub 2011 Apr 7.

DOI:10.1107/S1600536811011639
PMID:21754367
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089274/
Abstract

In the title compound, C(10)H(13)NO(2)S, the thio-phene and isoxazoline rings are almost coplanar, the dihedral angle between their least-squares planes being 2.08 (1)°. The O-H atoms of the methyl hy-droxy group and the N atom of the isoxazole ring are orientated in the same direction to allow for the formation of inter-molecular O-H⋯N hydrogen bonds that lead to a supra-molecular chain along the a axis.

摘要

在标题化合物C(10)H(13)NO(2)S中，噻吩环和异恶唑啉环几乎共面，它们的最小二乘平面之间的二面角为2.08 (1)°。甲基羟基的O-H原子和异恶唑环的N原子朝同一方向取向，以便形成分子间O-H⋯N氢键，从而沿a轴形成超分子链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b7c/3089274/a54cce83b314/e-67-o1040-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b7c/3089274/b29cf84e977f/e-67-o1040-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b7c/3089274/a54cce83b314/e-67-o1040-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b7c/3089274/b29cf84e977f/e-67-o1040-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b7c/3089274/a54cce83b314/e-67-o1040-fig2.jpg

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本文引用的文献

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5-(2,6-difluorobenzyl)oxymethyl-5-methyl-3-(3-methylthiophen-2-yl)- 1,2-isoxazoline as a useful rice herbicide.5-(2,6-二氟苄基)氧甲基-5-甲基-3-(3-甲基噻吩-2-基)-1,2-异恶唑啉作为一种有效的水稻除草剂。
J Agric Food Chem. 2005 Nov 2;53(22):8639-43. doi: 10.1021/jf051284f.