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1,6 - 二甲基 - 2 - 氧代 - 4 -（喹啉 - 4 - 基）- 1,2,3,4 - 四氢嘧啶 - 5 - 羧酸乙酯

Ethyl 1,6-dimethyl-2-oxo-4-(quinolin-4-yl)-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

作者信息

Zubatyuk Roman I, Shishkin Oleg V, Ihmels Heiko, Lebedyeva Iryna A, Povstyanoy Mykhaylo V

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 23;66(Pt 7):o1762-3. doi: 10.1107/S1600536810023482.

DOI:10.1107/S1600536810023482
PMID:21587977
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006892/
Abstract

In the title compound, C(18)H(19)N(3)O(3), the tetra-hydro-pyrimidone ring adopts a distorted boat conformation. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked via inter-molecular C-H⋯π inter-actions. In addition, an intra-molecular C-H⋯O hydrogen bond occurs.

摘要

在标题化合物C₁₈H₁₉N₃O₃中，四氢嘧啶酮环呈扭曲的船式构象。在晶体结构中，分子间的N-H⋯O氢键将分子连接成中心对称的二聚体，这些二聚体通过分子间的C-H⋯π相互作用进一步连接。此外，还存在分子内的C-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7132/3006892/d7949d2dc3dd/e-66-o1762-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7132/3006892/e75390062630/e-66-o1762-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7132/3006892/d7949d2dc3dd/e-66-o1762-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7132/3006892/e75390062630/e-66-o1762-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7132/3006892/d7949d2dc3dd/e-66-o1762-fig2.jpg

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