5,5-Dihydroxy-barbituric acid 1,4-dioxane hemisolvate.

ABSTRACT: The asymmetric unit of the title compound,, C(4)H(4)N(2)O(5)·0.5C(4)H(8)O(2), contains one molecule of 5,5-dihydroxybarbituric acid with a nearly planar barbiturate ring and half a molecule of 1,4-dioxane. The geometry of the centrosymmetric dioxane molecule is close to an ideal chair conformation. The crystal structure exhibits a complex three-dimensional hydrogen-bonded network. Barbiturate mol-ecules are connected to one another via N-H⋯O=C, O-H⋯O=C and N-H⋯O(hydr-oxy) inter-actions, while the barbituric acid mol-ecule is linked to dioxane by an O-H⋯O contact.

SUBMITTER: Gelbrich T 

PROVIDER: S-EPMC2979119 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature