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()-2-氨基-4-甲基硫烷基-6-氧代-1-(1-苯基-亚乙基氨基)-1,6-二氢嘧啶-5-甲腈和()-2-氨基-4-甲基硫烷基-6-氧代-1-[1-(吡啶-2-基)亚乙基氨基]-1,6-二氢嘧啶-5-甲腈 的晶体结构

Crystal structures of ()-2-amino-4-methyl-sulfanyl-6-oxo-1-(1-phenyl-ethyl-idene-amino)-1,6-di-hydro-pyrimidine-5-carbo-nitrile and ()-2-amino-4-methyl-sulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethyl-idene-amino]-1,6-di-hydro-pyrimidine-5-carbo-nitrile.

作者信息

Mohamed-Ezzat Reham A, Elgemeie Galal H, Jones Peter G

机构信息

Chemistry of Natural & Microbial Products Department, National Research Center, Cairo, Egypt.

Chemistry Department, Faculty of Science, Helwan University, Cairo, Egypt.

出版信息

Acta Crystallogr E Crystallogr Commun. 2021 Apr 23;77(Pt 5):547-550. doi: 10.1107/S2056989021004126. eCollection 2021 May 1.

Abstract

The title compounds , CHNOS, and , CHNOS, both show an configuration about the N=C bond and a planar NH group. The mol-ecules, which only differ in the presence of a phenyl (in ) or pyridyl (in ) substituent, are closely similar except for the different orientations of these groups. The amino hydrogen atoms form classical hydrogen bonds; in the acceptors are the oxygen atom and the cyano nitro-gen atom, leading to ribbons of mol-ecules parallel to the axis, whereas in the acceptors are the oxygen atom and the pyridyl nitro-gen, leading to a layer structure perpendicular to (01).

摘要

标题化合物CHNOS和CHNOS均显示出围绕N = C键的构型以及平面NH基团。这两种分子仅在一个含有苯基(在中)或吡啶基(在中)取代基上有所不同,除了这些基团的不同取向外,它们非常相似。氨基氢原子形成经典氢键;在中,受体是氧原子和氰基氮原子,导致分子形成平行于轴的带状结构,而在中,受体是氧原子和吡啶基氮原子,导致形成垂直于(01)的层状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fad8/8100259/dd0b97eee424/e-77-00547-fig1.jpg

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