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4-(4-羟基苯基)-6-甲基-2-氧代-1,2,3,4-四氢嘧啶-5-羧酸乙酯一水合物

Ethyl 4-(4-hydroxy-phen-yl)-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate monohydrate.

作者信息

Das Ushati, Chheda Shardul B, Pednekar Suhas R, Karambelkar Narendra P, Guru Row T N

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 29;64(Pt 12):o2488-9. doi: 10.1107/S1600536808039548.

DOI:10.1107/S1600536808039548
PMID:21581452
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960136/
Abstract

There are three formula units in the asymmetric unit of the title compound, C(14)H(16)N(2)O(4)·H(2)O. Mol-ecules are linked by N-H⋯O hydrogen bonds into dimers with the common R(2) (2)(8) graph-set motif. Between dimers, single N-H⋯O hydrogen bonds are formed between the other N-H group of each pyrimidine ring and the hydroxyl groups. The water mol-ecules accept O-H⋯O hydrogen bonds from the hydroxyl groups and donate hydrogen bonds to the ester groups.

摘要

标题化合物C₁₄H₁₆N₂O₄·H₂O的不对称单元中有三个化学式单元。分子通过N—H⋯O氢键连接成具有常见R₂²(8) 图集模式的二聚体。在二聚体之间,每个嘧啶环的另一个N—H基团与羟基之间形成单个N—H⋯O氢键。水分子接受来自羟基的O—H⋯O氢键,并向酯基提供氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/71cc/2960136/90d8d14b5580/e-64-o2488-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/71cc/2960136/6c19b741ddee/e-64-o2488-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/71cc/2960136/90d8d14b5580/e-64-o2488-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/71cc/2960136/6c19b741ddee/e-64-o2488-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/71cc/2960136/90d8d14b5580/e-64-o2488-fig2.jpg

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Biologically active dihydropyrimidones of the Biginelli-type--a literature survey.贝纳利型生物活性二氢嘧啶酮——文献综述
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