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Ethyl 3-(4-fluoro-phen-yl)-6-methyl-4-oxo-2-(1-cyclohexylamino)-3,4-dihydro-furo[2,3-d]pyrimidine-5-carboxyl-ate.


ABSTRACT: In the crystal structure of the title compound, C(22)H(24)FN(3)O(4), the two fused rings of furo[2,3-d]pyrimidine form a dihedral angle of 0.88?(13)°. The attached benzene ring is twisted with respect to the heterocyclic pyrimidinone ring, making a dihedral angle of 75.07?(12)°. The cyclo-hexyl ring shows a distorted chair conformation. The mol-ecular structure is stabilized by intra-molecular C-H?O and C-H?N hydrogen-bonding inter-actions. The crystal packing is mainly stabilized by C-H?? hydrogen-bond inter-actions. Further stability is provided by C-F?? and C-O?? stacking inter-actions.

SUBMITTER: Sun Y 

PROVIDER: S-EPMC2915357 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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Ethyl 3-(4-fluoro-phen-yl)-6-methyl-4-oxo-2-(1-cyclohexylamino)-3,4-dihydro-furo[2,3-d]pyrimidine-5-carboxyl-ate.

Sun Yong Y   Zeng Guo-Ping GP   Hu Yang-Gen YG  

Acta crystallographica. Section E, Structure reports online 20071221 Pt 1


In the crystal structure of the title compound, C(22)H(24)FN(3)O(4), the two fused rings of furo[2,3-d]pyrimidine form a dihedral angle of 0.88 (13)°. The attached benzene ring is twisted with respect to the heterocyclic pyrimidinone ring, making a dihedral angle of 75.07 (12)°. The cyclo-hexyl ring shows a distorted chair conformation. The mol-ecular structure is stabilized by intra-molecular C-H⋯O and C-H⋯N hydrogen-bonding inter-actions. The crystal packing is mainly stabilized by C-H⋯π hydro  ...[more]

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