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Crystal structure of 5,5-bis-(4-methyl-benz-yl)pyrimidine-2,4,6(1H,3H,5H)-trione monohydrate.

ABSTRACT: The asymmetric unit of the title compound, C20H20N2O3·H2O, contains two independent mol-ecules (A and B), with similar conformations and two independent water mol-ecules. In the crystal, N-H?O and Owater-H?O hydrogen bonds link all moieties into two crystallographically independent kinds of sheets parallel to the ac plane. These independent sheets, each containing either A or B mol-ecules, are further alternately stacked along the b axis and inter-connected via C-H??ar-yl inter-actions.

SUBMITTER: Ravi Kiran B

PROVIDER: S-EPMC4331871 | biostudies-other | 2015 Jan

REPOSITORIES: biostudies-other

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Crystal structure of 5,5-bis-(4-methyl-benz-yl)pyrimidine-2,4,6(1H,3H,5H)-trione monohydrate.

Ravi Kiran Bhaskarachar B Suchetan Parameshwar Adimule PA Amar Hosamani H Vijayakumar Giriyapura R GR

Acta crystallographica. Section E, Crystallographic communications 20150101 Pt 1

The asymmetric unit of the title compound, C20H20N2O3·H2O, contains two independent mol-ecules (A and B), with similar conformations and two independent water mol-ecules. In the crystal, N-H⋯O and Owater-H⋯O hydrogen bonds link all moieties into two crystallographically independent kinds of sheets parallel to the ac plane. These independent sheets, each containing either A or B mol-ecules, are further alternately stacked along the b axis and inter-connected via C-H⋯πar-yl inter-actions. ...[more]

PMID: 25705440

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