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6-(2-氯苯基)-4-甲基-1-(3-氧代丁基)-2-硫代-1,2,3,6-四氢嘧啶-5-羧酸乙酯

Ethyl 6-(2-chloro-phen-yl)-4-methyl-1-(3-oxobut-yl)-2-thioxo-1,2,3,6-tetra-hydro-pyrimidine-5-carboxyl-ate.

作者信息

He Qing-Peng, Wang Jian-Yong, Feng Ruo-Kun

机构信息

College of Chemistry and Chemical Engineering, Liaocheng University, Shandong 252059, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jan 4;64(Pt 2):o352. doi: 10.1107/S160053680706730X.

DOI:10.1107/S160053680706730X
PMID:21201384
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960298/
Abstract

In the title mol-ecule, C(18)H(21)ClN(2)O(3)S, the pyrimidine ring exhibits a half-chair conformation. The ethyl group is disordered between two positions in a ratio 0.74:0.26. In the crystal structure, the mol-ecules are linked into chains along the a axis by N-H⋯O hydrogen bonds.

摘要

在标题分子C(18)H(21)ClN(2)O(3)S中，嘧啶环呈半椅式构象。乙基在两个位置之间无序排列，比例为0.74:0.26。在晶体结构中，分子通过N-H⋯O氢键沿a轴连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf06/2960298/e438f4d8e2c8/e-64-0o352-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf06/2960298/e438f4d8e2c8/e-64-0o352-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf06/2960298/e438f4d8e2c8/e-64-0o352-fig1.jpg

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