N,N-Diethyl-2-hy-droxy-ethanaminium 5-(2,4-di-nitro-phen-yl)barbiturate sesquihydrate.

ABSTRACT: In the title hydrated mol-ecular salt, C6H16NO(+)·C10H5N4O7 (-)·1.5H2O [systematic name: N,N-diethyl-2-hy-droxy-ethan-am-in-ium 5-(2,4-di-nitro-phen-yl)-2,6-di-oxo-1,2,3,6-tetra-hydro-pyrim-idin-4-olate sesquihydrate], the dihedral angle between the six-membered rings in the anion is 37.66?(11)°. The nitro groups ortho and para to the ring junction are rotated from their attached ring by 40.8?(3) and 23.5?(3)°, respectively. The ethanol group is disordered over two of the 'arms' of the cation in a statistical ratio. In the crystal, [010] chains of anions occur, linked by N-H?O and O-H?O hydrogen bonds, which generate R 2 (2)(8) loops. Further N-H?O and O-H?O hydrogen bonds link the components into a three-dimensional network. One of the water O atoms lies near an inversion centre and is 50% occupied.

SUBMITTER: Mangaiyarkarasi G 

PROVIDER: S-EPMC3685026 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature