0000000001318188

AUTHOR

M. El Azhari

showing 2 related works from this author

5-Acetyl-6-methyl-4-phenyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1H)-one

2017

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.

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:CrystallographypropynylIUCrData
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CCDC 1812012: Experimental Crystal Structure Determination

2017

Related Article: H. Kaoukabi, M. Taourirte, H.B. Lazrek, M. El Azhari, M. Saadi, L. El Ammari|2017|IUCrData|2|x171802|doi:10.1107/S2414314617018028

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters5-acetyl-6-methyl-4-phenyl-1-(prop-2-yn-1-yl)-34-dihydropyrimidin-2(1H)-oneExperimental 3D Coordinates
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