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N,N-Diethyl-2-hy­droxy­ethanaminium 5-(2,4-di­nitro­phen­yl)barbiturate sesquihydrate

In the title hydrated mol­ecular salt, C(6)H(16)NO(+)·C(10)H(5)N(4)O(7) (−)·1.5H(2)O [systematic name: N,N-diethyl-2-hy­droxy­ethan­am­in­ium 5-(2,4-di­nitro­phen­yl)-2,6-di­oxo-1,2,3,6-tetra­hydro­pyrim­idin-4-olate sesquihydrate], the dihedral angle between the six-membered rings in the anion is 3...

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Detalles Bibliográficos
Autores principales: Mangaiyarkarasi, Govindan, Kalaivani, Doraisamyraja
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685026/
https://www.ncbi.nlm.nih.gov/pubmed/23795045
http://dx.doi.org/10.1107/S1600536813012257
Descripción
Sumario:In the title hydrated mol­ecular salt, C(6)H(16)NO(+)·C(10)H(5)N(4)O(7) (−)·1.5H(2)O [systematic name: N,N-diethyl-2-hy­droxy­ethan­am­in­ium 5-(2,4-di­nitro­phen­yl)-2,6-di­oxo-1,2,3,6-tetra­hydro­pyrim­idin-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.