Research Article: N,N-Diethyl-2-hy­droxy­ethanaminium 2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate dihydrate

Date Published: June 01, 2011

Publisher: International Union of Crystallography

Author(s): Manickam Buvaneswari, Doraisamyraja Kalaivani.


In the title mol­ecular salt, C6H16NO+·C10H4N5O9−·2H2O, which crystallizes as a dihydrate, O—H⋯O hydrogen bonds link the barbiturate anion, the ethanaminium cation and the water mol­ecules of crystallization. The dihedral angle between the rings in the anion is 43.71 (8)°. In the crystal, an R22(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), is formed.

Partial Text

For the anti-epileptic properties of barbiturates, see: Tripathi (2009 ▶); Kalaivani & Malarvizhi (2009 ▶); Kalaivani et al. (2008 ▶). For graph-set analysis of hydrogen bonds, see: Bernstein et al. (1995 ▶).




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