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(E)-tert-Butyl 2-(5-{[4-(dimethylamino)phenyl]diazenyl}-2,6-dioxo-1H-pyrimid-in-3-yl)acetate dichloromethane monosolvate.

ABSTRACT: In the title compound, C18H23N5O4·CH2Cl2, the di-chloro-methane solvent mol-ecule is disordered over two sets of sites in a 0.630?(13):0.370?(13) ratio. The dihedral angle between the uracil and phenyl rings is 30.2?(1)°. In the crystal, the principal inter-actions are N-H?O hydrogen bonds, which link uracil units across centres of symmetry, forming eight-membered rings with an R (2) 2(8) graph-set motif. The structure also displays C-H?O and C-H?Cl hydrogen bonds. Intra-molecular C-H?O short contacts are also observed.

SUBMITTER: Hudson RH 

PROVIDER: S-EPMC4011311 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature

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(E)-tert-Butyl 2-(5-{[4-(dimethylamino)phenyl]diazenyl}-2,6-dioxo-1H-pyrimid-in-3-yl)acetate dichloromethane monosolvate.

Hudson Robert H E RH   Moustafa Mohamed E ME   Boyle Paul D PD  

Acta crystallographica. Section E, Structure reports online 20140416 Pt 5

In the title compound, C18H23N5O4·CH2Cl2, the di-chloro-methane solvent mol-ecule is disordered over two sets of sites in a 0.630 (13):0.370 (13) ratio. The dihedral angle between the uracil and phenyl rings is 30.2 (1)°. In the crystal, the principal inter-actions are N-H⋯O hydrogen bonds, which link uracil units across centres of symmetry, forming eight-membered rings with an R (2) 2(8) graph-set motif. The structure also displays C-H⋯O and C-H⋯Cl hydrogen bonds. Intra-molecular C-H⋯O short co  ...[more]

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