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2-氨基-4-甲基嘧啶磷酸二氢盐

2-Amino-4-methyl-pyrimidinium dihydrogen phosphate.

作者信息

Thomas Sajesh P, Sunkari Jyothi

机构信息

Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, Karnataka, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 13;69(Pt 4):o529. doi: 10.1107/S160053681300648X. Print 2013 Apr 1.

DOI:10.1107/S160053681300648X
PMID:23634070
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3629583/
Abstract

A charge-assisted hydrogen-bonding network involving N-H⋯O and O-H⋯O hydrogen bonds stabilizes the crystal of the title salt, C5H8N3 (+)·H2PO4 (-). The dihydrogen phosphate anions form one-dimensional chains along [100], via O-H⋯O hydrogen bonds. The 2-amino-4-methyl-pyrimidinium cations are linked to these chains by means of two different kinds of N-H⋯O hydrogen bonds. Neighbouring chains are linked via C-H⋯N and C-H⋯O hydrogen bonds forming two-dimensional slab-like networks lying parallel to (01-1).

摘要

一个涉及N-H⋯O和O-H⋯O氢键的电荷辅助氢键网络使标题盐C5H8N3(+)·H2PO4(-)的晶体得以稳定。磷酸二氢根阴离子通过O-H⋯O氢键沿[100]方向形成一维链。2-氨基-4-甲基嘧啶鎓阳离子通过两种不同类型的N-H⋯O氢键与这些链相连。相邻的链通过C-H⋯N和C-H⋯O氢键相连,形成平行于(01-1)的二维板状网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9468/3629583/45190e532b4b/e-69-0o529-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9468/3629583/c8805897d1ed/e-69-0o529-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9468/3629583/45190e532b4b/e-69-0o529-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9468/3629583/c8805897d1ed/e-69-0o529-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9468/3629583/45190e532b4b/e-69-0o529-fig2.jpg

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