6533b86ffe1ef96bd12cdcde
RESEARCH PRODUCT
5-Acetyl-6-methyl-4-phenyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1H)-one
Mohamed SaadiH. KaoukabiM. El AzhariL. El AmmariMoha TaourirteHassan B. Lazreksubject
crystal structurephenyl010405 organic chemistryChemistryHydrogen bondPlane (geometry)PropynylCrystal structureDihedral angle010402 general chemistryRing (chemistry)acetyl01 natural sciences0104 chemical scienceschemistry.chemical_compoundCrystallography4-dihydropyrimidin-2(1H)-onehydrogen bondslcsh:QD901-999PerpendicularMoietylcsh:Crystallographypropynyldescription
The 4-dihydropyrimidin-2(1H)-one moiety of the title molecule, C16H16N2O2, displays a half-chair conformation. The least-squares mean plane through this heterocycle is almost perpendicular to the aromatic ring [dihedral angle = 89.52 (8)°] and to the prop-2-ynyl chain [C—C—N—C torsion angle of −73.2 (2)°]. The mean plane through the acetyl group makes a dihedral angle of 30.93 (10)° with the mean plane of the heterocycle. There is an intramolecular C—H...O hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds forming inversion dimers.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2017-12-01 | IUCrData |