STUDIES ON INTRAMOLECULAR HYDROGEN-BOND O F N-FERROCENOYL-N'-4-ACETYLPHENYL THIOUREA

Synthesis and crystal structure of title molecule is reported here. Th e crystal belongs to monoclinic, space group P 2(1)/a with unit cell a rameters of a = 0.9771(2), b = 1.6752(6), c = 1. 1552(3)nm, beta = 109 . 23(2)degrees, V = 1.785(2)nm(3), M(gamma) = 406.21, Z = 4, D-x = 1.4 2g/cm(3). The final refinement converges with R = 0.047 and R(omega) = 0.051 for 1603 observed independent reflections. In this crystal, the re is an intramolecular hydrogen bond between the amino and carbonyl g roup of N'H-C(S)-NH-C(O), which forms a planar six-membered ring and i s parallel to the Cp ring of ferrocene moiety. The proton on N'H(betwe en phenyl and thiocarbonyl) gives delta 12.8 at lower field due to the intramolecular deshielding effect and that of NH (between the carbony l and thiocarbonyl)delta 8.5 at high field.