The structures of the products of three condensation reactions. Crystal and molecular structures of 5,6-dihydrothiazolo[2,3-c][1,2,4]-thiadiazol-3-one, 6β-(1-ethyl-1-hydroxypropyl)-5α-phenyl-2,3,5,6-tetrahydro-imidazo[2,1-b]thiazole, and 5,5-diphenyl-2,3-dihydroimidazo-[2,1-b]thiazol-6(5H)-one

Abstract

The crystal and molecular structures of the title compounds, (II), (VI), and (IX), respectively, have been determined from diffractometer data [962 reflexions for (II), 1 563 for (VI), and 2 579 for (IX)] and have been refined by least-squares calculations to final R values of 0.024, 0.058, and 0.045, respectively. Crystals of (II) and (IX) are monoclinic, space group P2₁/c, with Z= 4. For (II), a= 7.379, b= 14.587, c= 5.804 Å, β= 102.3°, while for (IX), a= 9.289, b= 14.754, c= 10.945 Å, β= 103.5°. Crystals of (VI) are orthorhombic, space group P2₁2₁2₁, with Z= 4 and a= 13.695, b= 10.581, c= 11.261 Å. The analyses of (II) and (VI) have resolved structural ambiguities surrounding the several products of the respective condensation reactions by which they were produced. The analysis of (IX), a product of an analogous condensation reaction, was undertaken because of the unusual spectroscopic properties of the compound.