SPATIAL CONFIGURATION OF DERIVATIVES OF 5,5a,6,7-TETRAHYDROPYRIDO[1,2-<i>a</i>]BENZIMIDAZOLE AND 6,7-DIHYDRO-5aH-PYRIDO[1,2-<i>b</i>]BENZOXAZOLE
Keywords:
pyrido[1,2-a]benzimidazoles, pyrido[1,2-b]benzoxazoles, X-ray crystallographic analysis, quantum-chemical calculationsAbstract
The spatial configurations of 7,9-diphenyl-5a,6-tetramethylene-5,5a,6,7-tetrahydropyrido[1,2-a]-benzimidazole and 7,9-diphenyl-5a,6-tetramethylene-2,5a,6,7-tetrahydropyrido[1,2-a]benzimidazol-2-one have been established by X-ray crystallography. Analogous configurations are proposed for a series of other derivatives of 5,5a,6,7-tetrahydropyrido[1,2-a]benzimidazoles and some derivatives of 6,7‑dihydro-5aH-pyrido[1,2-b]benzoxazoles on the basis of 1H NMR spectroscopic data and the results of quantum chemical calculations using the MNDO, AM1, and PM3 methods.
How to Cite
Il'in, S. G.; Reshetnyak, M. V.; Yanovskii, A. I.; Struchkov, Yu. T.; Slabko, O. Yu.; Verbitskii, G. A.; Kaminski, V. A. Chem. Heterocycl. Compd. 2001, 37, 109. [Khim. Geterotsikl. Soedin. 2001, 114.]
For this article in the English edition, see DOI https://doi.org/10.1023/A:1017501219800