6533b823fe1ef96bd127ebf4
RESEARCH PRODUCT
N-(4-Acetyl-3-methyl-1-phenyl-1H-pyrazol-5-yl)-N-methyl-2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide
Benedetta MaggioFiorella Meneghettisubject
Hydrogen bondQuinazolinylbenzamide derivative X-ray structureStackingGeneral ChemistryDihedral anglePyrazoleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic PapersMedicinal chemistrySettore CHIM/08 - Chimica Farmaceuticalcsh:Chemistrychemistry.chemical_compoundchemistrylcsh:QD1-999QuinazolinePhenyl groupGeneral Materials ScienceBenzenedescription
In the title compound, C29H25N5O3, the dihedral angle between the benzene ring and the pendant quinazoline ring system (r.m.s. deviation = 0.036Å) is 87.60 (17)°. The equivalent angle between the pyrazole ring and the phenyl group is 70.0 (2)°. The dihedral angle between the benzene and pyrazole rings is 30.7 (2)° and overall, the molecular conformation approximates to a Z shape. A short intramolecular C—H...O contact occurs. In the crystal, the molecules are linked by Cπ—H...O-type hydrogen bonds and aromatic π–π stacking interactions [centroid–centroid distance = 3.860 (3) Å], generating a three-dimensional network.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2013-09-01 | Acta Crystallographica Section E |