Abstract
In the title compound, C21H20N2O, the piperidine ring adopts a chair conformation while the pyran ring adopts a screw-boat conformation. The piperidine ring forms dihedral angles of 65.75 (3) and 67.79 (5)° with the chroman and methyl-substituted benzene rings, respectively. The crystal structure features weak C—H⋯π and π–π [centroid–centroid distance = 3.8098 (8) Å] interactions.
Highlights
In the title compound, C21H20N2O, the piperidine ring adopts a chair conformation while the pyran ring adopts a screw-boat conformation
Piperidine carbonitrile derivatives are used as sensitizers in photodynamic therapy (PDT) (Vicente, 2001) and in boron neutron capture therapy (BNCT) (Barth et al, 2005) of brain tumors, which protects the central nervous system from drugs and endogenous molecules (Terasaki et al, 2003) and exhibits good bioactivities (Cardellicchio et al 2010; Huang et al 2008; Kumar et al 2010)
Part of the crystal structure of title compound showing the formation of a chain running along [010] direction generated by a C—H···π interaction
Summary
R factor = 0.049; wR factor = 0.152; data-to-parameter ratio = 28.7. C21H20N2O, the piperidine ring adopts a chair conformation while the pyran ring adopts a screw-boat conformation. The piperidine ring forms dihedral angles of. 65.75 (3) and 67.79 (5) with the chroman and methylsubstituted benzene rings, respectively. The crystal structure features weak C—H and – [centroid–centroid distance.
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