Mm. Krayushkin et al., STRUCTURE AND CONFORMATIONAL FEATURES OF TETRAHYDROTHIENOTHIEPINOISOXAZOLE AS A NOVEL HETEROCYCLIC SYSTEM, Russian chemical bulletin, 43(10), 1994, pp. 1700-1702
The crystal and molecular structure of a novel heterocyclic system, et
rahydrothieno[3',2:6,7]thiepino[4,5-c]isoxazole, has been determined b
y X-ray analysis. The seven-membered ring has the boat conformation (B
), while the isoxazoline cycle has the flat chair conformation ((3)E).
There are strong steric strains between the vicinal protons at the C(
3a), C(3), and C(4) atoms.