Crystal and molecular structure of 2-(1,3-benzothiazol-2-yl)-2-(4-tert-butylcyclohexylidene)ethanonitrile

Abstract

The crystal and molecular structure of the title compound (C19H22N2 S) has been investigated by single crystal X-ray methods. The crystals are orthorhombic, space group Pbca, with cell dimensions: a = 12.082(2),~, b = 11.460(2),~, c = 25.128(4) A. The structure was solved by direct methods, and refined with 1225 independent reflections by a full-matrix, least-squares procedure, which converged to R = 0.042. The benzene and thiazole planes are coplanar and the cyclohexane ring adopts a chair conformation.