Synthesis, structure, and configuration of new spirooxyndol compound

Abstract

Structure of a new spirooxyndol compound, [indoline-3,2′(3′H)-[3′-acetyl-2′-acetamide-[1,3,4]-thiodiazoline]-1-benzyl]-2, has been determined by X-ray diffraction analysis. Crystal is monoclinic, unit cell parameters are: a = 12.097(1) A, b = 10.172(1) A, c = 32.987(1) A; β = 97.731(3)°, space group P21/n, Z = 4, compound C42H44N8O7S2. Independent part of the unit cell is formed by two crystallographically independent molecules, practically equal in composition and configuration. Two independent molecules are united by the exosphere molecule of ethanol. Phenyl and pyrol rings are located virtually in one plane, dihedral angle formed by mean-square planes of these rings vary within 1.5(2)–3.3(2)°. In both molecules thiodiazoline and pyrol rings are spiro-joint over carbon atom, the dihedral angle formed by the latter is 89.1(1)° and 88.5(1)°, sulfur and nitrogen atoms in the molecules A and B being on different sides of pyrol ring keeping identical configuration of carbon node. Crystal structure is composed due to branched system of intermolecular hydrogen bonds.