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Abstract
In the title compound, C24H20N2O2, the six-membered pyran ring adopts a half-chair conformation with one C atom deviating from the mean plane of the remaining ring atoms by 0.654 (6) Å. The five-membered isoxazole ring adopts an N-envelope conformation with the N atom displaced by 0.742 (5) Å from the mean plane formed by the remaining ring atoms. The carbonitrile side chain is almost linear, with a C—C—N angle of 178.6 (5)°. The crystal packing is stabilized by intermolecular C—H⋯N interactions, through bifurcated acceptor hydrogen bonds formed between the carbonitrile N atom and two alternate C atoms in the unsubstituted benzene ring. The molecular structure and crystal packing are further stabilized by intramolecular and intermolecular C—H⋯π interactions.
Highlights
C24H20N2O2, the six-membered pyran ring adopts a half-chair conformation with one C atom deviating from the mean plane of the remaining ring atoms by
0.742 (5) Å from the mean plane formed by the remaining ring atoms
The crystal packing is stabilized by intermolecular C—H N interactions, through bifurcated acceptor hydrogen bonds formed between the carbonitrile N
Summary
M. Bakthadossb a Department of Physics, RKM Vivekananda College (Autonomous), Chennai. 600 004, India, and bDepartment of Organic Chemistry, University of Madras, Maraimalai Campus, Chennai 600 025, India. C24H20N2O2, the six-membered pyran ring adopts a half-chair conformation with one C atom deviating from the mean plane of the remaining ring atoms by. The five-membered isoxazole ring adopts an Nenvelope conformation with the N atom displaced by. 0.742 (5) Å from the mean plane formed by the remaining ring atoms. The crystal packing is stabilized by intermolecular C—H N interactions, through bifurcated acceptor hydrogen bonds formed between the carbonitrile N atom and two alternate C atoms in the unsubstituted benzene ring. The molecular structure and crystal packing are further stabilized by intramolecular and intermolecular C—H interactions
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