Abstract
The molecular and crystal structures of the title compound, C16H14FN3O2, are stabilized by intramolecular N—H⋯O and intermolecular O—H⋯O hydrogen bonds. The existence of non-classical intramolecular C—H⋯N hydrogen bonds provides a dihedral angle between the fluoro-substituted benzene and pyrimidinone rings of 7.9 (1)°.
Highlights
The molecular and crystal structures of the title compound, C16H14FN3O2, are stabilized by intramolecular N—H O and intermolecular O—H O hydrogen bonds
The existence of non-classical intramolecular C—H N hydrogen bonds provides a dihedral angle between the fluoro-substituted benzene and pyrimidinone rings of 7.9 (1)
In connection with our ongoing heterocyclic synthesis and drug discovery project (Yang & Wu, 2008), we have focused on the synthesis of quinazolinone and thienopyrimidinones (Wang et al, 2008; Yang et al, 2008)
Summary
School of Chemistry and Material Engineering, Huangshi Institute of Technology, Huangshi 435003, People’s Republic of China R factor = 0.037; wR factor = 0.102; data-to-parameter ratio = 14.5. The molecular and crystal structures of the title compound, C16H14FN3O2, are stabilized by intramolecular N—H O and intermolecular O—H O hydrogen bonds. The existence of non-classical intramolecular C—H N hydrogen bonds provides a dihedral angle between the fluoro-substituted benzene and pyrimidinone rings of 7.9 (1) .
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