Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine

Creative Commons License

Cinar E. B., Yesilbag S., Doğan O. E., Ağar E., DEGE N., Saif E.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.76, pp.1472-1479, 2020 (ESCI) identifier identifier identifier


Molecules of the title compound, C16H16N2O2, occupy special positions on the twofold rotation axes. The heterocyclic ring adopts a slightly twisted envelope conformation with one of the two junction carbon atoms as the flap. The mean planes through the two halves of the molecule form a dihedral angle of 72.01 (2)degrees. In the crystal, molecules are linked by pairs of C-H center dot center dot center dot O and N-H center dot center dot center dot C contacts into layers parallel to (100). H center dot center dot center dot H contacts make the largestcontribution to the Hirshfeld surface (58.9%).