Synthesis, crystal structure and theoretical studies of aryltellurenyl tetramethylthiourea(tmtu) iodine complexes: Ph-Te(tmtu)I (1) and β-naphtyl-Te(tmtu)I (2)

Abstract

Summary (1) C11H17IN2STe, M r = 463.83, P21/n, a = 7.6582(8), b = 13.8008(9), c = 15.026(3) Å, β = 96.233(12)°, Z = 4, R 1 = 0.0318. (2) C15H19IN2STe, M r = 513.88, P21/n, a = 8.434(5), b = 11.697(5), c = 18.472(5) Å, β = 98.556(5)°, Z = 4, R 1 = 0.0236. The synthesis of the aryltellurenyl N,N′-tetramethylthiourea (tmtu) iodide has been performed by ligand exchange with potassium iodide and the corresponding aryltellurenyl(tmtu) bromide. In both structures the tellurium atom is primarily three-coordinated, being bonded to a carbon atom of the organic ring and, in directions nearly perpendicular to the Te—C bond, to one tmtu sulfur atom and one iodine. In addition there are Te…secondary bonds, joining the molecules in centrosymmetric dimers, which in turn are joined through C—H…I and C—H…S interactions, in (1) and (2) respectively.