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9-[4-羟基-3-(羟甲基)丁基]鸟嘌呤一水合物

9-[4-Hydr-oxy-3-(hydroxy-meth-yl)but-yl]guanine monohydrate.

作者信息

Tang Huang, Cheng Feng-Jie, Li Nan, Liu Yan-Cheng, Chen Zhen-Feng

机构信息

Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources (Ministry of Education), School of Chemistry & Chemical Engineering, Guangxi Normal University, Guilin 541004, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Oct 28;65(Pt 11):o2878. doi: 10.1107/S1600536809043980.

Abstract

In the mol-ecular structure of the title compound, also named penciclovir monohydrate, C(10)H(15)N(5)O(3)·H(2)O, the 4-hydr-oxy-3-hydroxy-methyl-but-1-yl group is connected to guanine through an N atom of the imidazole ring. Water mol-ecules stabilize the mol-ecular packing by forming O-H⋯O hydrogen bonds. A three-dimensional network is generated via inter-molecular N-H⋯N, N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonding.

摘要

在标题化合物(也称为喷昔洛韦一水合物,C(10)H(15)N(5)O(3)·H(2)O)的分子结构中,4-羟基-3-羟甲基丁-1-基通过咪唑环的一个N原子与鸟嘌呤相连。水分子通过形成O-H⋯O氢键来稳定分子堆积。通过分子间的N-H⋯N、N-H⋯O、O-H⋯N和O-H⋯O氢键形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b6a7/2971410/29ba09d92556/e-65-o2878-fig1.jpg

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