(Carbazol-9-ido-κ N)di-chlorido-(η5:η1-2,3,4,5-tetra-methyl-penta-fulvene)tantalum(V)

Abstract

The reaction of (η⁵:η¹-2,3,4,5-tetra-methyl-penta-fulvene)tantalum(V) dicarbazolide chloride (1) with etheric HCl results in the formation of the title compound (2), [Ta(C₁₀H₁₄)(C₁₂H₈N)Cl₂]. The Ta^V atom has a distorted tetra-hedral coordination environment in a three-legged piano-stool fashion. The conformation of the penta-fulvene exocyclic C atom to the three other ligands is staggered and not eclipsed, as found in the crystal structure of 1. Inter-molecular inter-actions include π-π stacking, H⋯π inter-actions and weak C-H⋯Cl hydrogen bonds.

Keywords: amide; chloride; crystal structure; penta­fulvene; tantalum.

Figure 1

Mol­ecular structure of 2. Displacement ellipsoids correspond to the 50% probability level.

Figure 2

(a) Schematic representation of key structural factors characterizing a penta­fulvene complex. (b) Schematic drawing of the penta­fulvene ligand above the central tantalum atom. C—C bond lengths of the penta­fulvene ligand are given in Å.

Figure 3

(a) A view along the b axis showing the packing of mol­ecule pairs of 2 inter­acting via C—H⋯Cl hydrogen bonds. (b) Double chains of 2 formed by π–π stacking and H⋯π inter­actions. Color code: C dark gray, H white, Cl green, N blue, Ta light gray.