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N-[4-乙酰基-5-甲基-5-(2-对甲苯基-丙基)-4,5-二氢-1,3,4-噻二唑-2-基]乙酰胺

N-[4-Acetyl-5-methyl-5-(2-p-tolyl-prop-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide.

作者信息

Tebaa Mohamed, Mazoir Noureddine, Maya Celia M, Nouzha Bouhmaida, Benharref Ahmed, Berraho Moha

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 10;65(Pt 2):o267-8. doi: 10.1107/S1600536809000191.

DOI:10.1107/S1600536809000191
PMID:21581882
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968392/
Abstract

The title heterocyclic compound, C(17)H(23)N(3)O(2)S, was synthesized from 4-(4-methyl-cyclo-hex-3-en-yl)pent-3-en-2-one, which was isolated from Cedrus atlantica essential oil. The thia-diazole ring adopts a flattened envelope conformation, with the flap sp(3)-hybridized C atom lying 0.259 (1) Å out of the plane of the other four atoms. The screw-related mol-ecules are linked into chains along the b axis by inter-molecular N-H⋯O hydrogen bonds.

摘要

标题杂环化合物C(17)H(23)N(3)O(2)S由4-(4-甲基-环己-3-烯基)戊-3-烯-2-酮合成，该化合物从大西洋雪松精油中分离得到。噻二唑环呈扁平信封构象，翼片上的sp(3)杂化C原子偏离其他四个原子所在平面0.259 (1) Å。通过分子间N-H⋯O氢键，与螺旋相关的分子沿b轴连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8bd/2968392/c73689688aab/e-65-0o267-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8bd/2968392/b91e9ffd1d2a/e-65-0o267-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8bd/2968392/c73689688aab/e-65-0o267-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8bd/2968392/b91e9ffd1d2a/e-65-0o267-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b8bd/2968392/c73689688aab/e-65-0o267-fig2.jpg

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