N,N-二乙基-2-羟基乙铵 2,6-二氧代-5-(2,4,6-三硝基苯基)-1,2,3,6-四氢嘧啶-4-醇二水合物
N,N-Diethyl-2-hy-droxy-ethanaminium 2,6-dioxo-5-(2,4,6-trinitro-phen-yl)-1,2,3,6-tetra-hydro-pyrimidin-4-olate dihydrate.
作者信息
Buvaneswari Manickam, Kalaivani Doraisamyraja
机构信息
PG and Research Department of Chemistry, Seethalakshmi Ramaswami College, Tiruchirappalli 620 002, Tamil Nadu, India.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1433-4. doi: 10.1107/S1600536811017363. Epub 2011 May 20.
In the title mol-ecular salt, C(6)H(16)NO(+)·C(10)H(4)N(5)O(9) (-)·2H(2)O, which crystallizes as a dihydrate, O-H⋯O hydrogen bonds link the barbiturate anion, the ethanaminium cation and the water mol-ecules of crystallization. The dihedral angle between the rings in the anion is 43.71 (8)°. In the crystal, an R(2) (2)(8) ring motif hydrogen-bonding pattern is also found involving inversion-related barbiturate rings with N-H⋯O hydrogen bonds. As a result of the various hydrogen bonds an infinite two-dimensional network, propagating in (10[Formula: see text]), is formed.
在标题分子盐C(6)H(16)NO(+)·C(10)H(4)N(5)O(9) (-)·2H(2)O中，它以二水合物形式结晶，O-H⋯O氢键连接巴比妥酸盐阴离子、乙铵阳离子和结晶水分子。阴离子中环之间的二面角为43.71 (8)°。在晶体中，还发现了一种R(2) (2)(8)环基序氢键模式，涉及通过N-H⋯O氢键形成的具有反演关系的巴比妥酸盐环。由于各种氢键，形成了一个在(10[化学式：见正文])中扩展的无限二维网络。
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