Unknown

Dataset Information

0

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

Json Xml
altmetric image

Publications

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

Gelbrich Thomas T   Rossi Denise D   Griesser Ulrich J UJ  

Acta crystallographica. Section E, Structure reports online 20100430 Pt 5

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 th  ...[more]

Similar Datasets

Unknown Butallyl-onal 1,4-dioxane hemisolvate.
| S-EPMC2983364 | biostudies-literature
Unknown 4-Hy-droxy-benzamide 1,4-dioxane hemisolvate.
| S-EPMC3435686 | biostudies-literature
Unknown Tetra-gonal polymorph of 5,5-dichloro-barbituric acid.
| S-EPMC3254567 | biostudies-literature
Unknown (2,2'-Bi-pyridine-?(2) N,N')di-chloridopalladium(II) 1,4-dioxane hemisolvate.
| S-EPMC4051027 | biostudies-literature
Unknown 2-Amino-4-(4-meth-oxy-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile 1,4-dioxane hemisolvate.
| S-EPMC3393982 | biostudies-literature
Unknown Cytenamide-1,4-dioxane (2/1).
| S-EPMC2961860 | biostudies-literature
Genomics 1,4-dioxane-degrading enrichment culture
| PRJNA382826 | ENA
Genomics 1,4-dioxane-degrading enrichment culture
| PRJNA382825 | ENA
Unknown 1,4-Bis(4-pyridylmeth-yl)piperazin-1-ium perchlorate fumaric acid hemisolvate.
| S-EPMC2977376 | biostudies-literature
Unknown 5,5-Bis(hydroxy-meth-yl)-2-phenyl-1,3-dioxane.
| S-EPMC2962161 | biostudies-literature