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

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

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...

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Bibliographic Details
Main Authors: Hanane Kaoukabi, Moha Taourirte, Hassan B. Lazrek, Mohamed El Azhari, Mohamed Saadi, Lahcen El Ammari
Format: Article
Language:English
Published: International Union of Crystallography 2017-12-01
Series:IUCrData
Subjects:
crystal structure
acetyl
phenyl
4-dihydropyrimidin-2(1H)-one
propynyl
hydrogen bonds
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2414314617018028
Description
Summary: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 an S(6) ring motif. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds forming inversion dimers.
ISSN:2414-3146

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