Tetra(diisopropylcarbodiimid‐N)‐Beryllium‐bis‐Triiodid und 1,3‐Diisopropyl‐2,4‐bis(isopropylimino)‐1,3‐Diazetidin

Abstract

AbstractTetra(diisopropylcarbodiimide‐N)‐beryllium‐bis‐triiodide, [Be(i‐C3H7–NCN–i‐C3H7)4](I3)2 (1), was prepared from beryllium powder and iodine in diisopropylcarbodiimide suspension to give red single crystals. Compound 1 catalyzes the cyclodimerization of diisopropylcarbodiimide forming 1,3‐diisopropyl‐2,4‐bis(isopropylimino)‐1,3‐diazetidine (2), which can be isolated as colourless single crystals. 1 and 2 were characterized by X‐ray diffration and IR spectroscopy. Compound 1 crystallizes tetragonally in the space group P$\bar4$21c with two formula units per unit cell. Lattice dimensions at 193(2) K: a = b = 1292.2(1), c = 1411.2(2) pm, R1 = 0.0497. The structure of 1 consists of distorted tetrahedral dications [Be(i‐C3H7–NCN–i‐C3H7)4]2+ with site symmetry $\bar4$ and triiodide ions with site symmetry 2. Compound 2: Space group P21/c, Z = 2, lattice dimensions at 100(2) K: a = 935.2(1), b = 795.5(1), c = 1141.0(1) pm, β = 112.54(1)°, R1 = 0.0304. The structure of 2 forms centrosymmetric molecules with symmetry Ci and planar four‐membered C2N2 rings.