Abstract
In the title molecule, C16H14N4O4, the quinazoline ring is substantially planar (r.m.s. deviation = 0.0129 Å) and forms a dihedral angle of 2.73 (8)° with the benzene ring. The conformation of the molecule is stabilized by an intramolecular C—H⋯N hydrogen bond. In the crystal, molecules are linked into chains running parallel to the b axis by C—H⋯O hydrogen bonds. In addition, π–π stacking is observed between dimethoxy-substituted and nitro-substituted benzene rings, with centroid–centroid distances in the range 3.6438 (10)–3.7148 (10) Å.
Highlights
The conformation of the molecule is stabilized by an intramolecular C—H N hydrogen bond
Molecules are linked into chains running parallel to the b axis by C—
An intramolecular hydrogen bond is shown as a dashed line
Summary
H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan, and bPCSIR. H atoms treated by a mixture of independent and constrained refinement max = 0.18 e Å3. R factor = 0.042; wR factor = 0.120; data-to-parameter ratio = 12.5. C16H14N4O4, the quinazoline ring is substantially planar (r.m.s. deviation = 0.0129 Å) and forms a dihedral angle of 2.73 (8) with the benzene ring. The conformation of the molecule is stabilized by an intramolecular C—H N hydrogen bond. Molecules are linked into chains running parallel to the b axis by C—. – stacking is observed between dimethoxy-substituted and nitro-substituted benzene rings, with centroid–centroid distances in the range
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