Crystal structure of rac-(3aR*,9aS*)-4,4,4-tri-chloro-1,2,3,3a,4,9a-hexa-hydro-4?(5),9?(4)-cyclo-penta-[4,5][1,3]tellurazolo[3,2-a]pyridine.

ABSTRACT: The title compound, C10H12Cl3NTe, crystallizes with two crystallographically independent mol-ecules (A and B) in the asymmetric unit. In each case, the coordination around the Te atom is distorted square-pyramidal, with the equatorial plane composed of the three Cl atoms and the C atom of the pyridinium ring. The Te atom is displaced from the mean-square plane by 0.1926?(7) and 0.1981?(8)?Å, in mol-ecules A and B, respectivly, away from the apical C atom. The bond lengths from the Te atom to the two Cl atoms arranged trans to each other [2.5009?(7)/2.5145?(7) and 2.5184?(7)/2.5220?(8)?Å in mol-ecules A and B, respectivly] are substan-ti-ally shorter than the third Te-Cl distance [2.8786?(7) and 2.8763?(7)?Å in mol-ecules A and B, respectivly]. The 1,3-tellurazole ring is almost planar (r.m.s. deviations of 0.042 and 0.045?Å in mol-ecules A and B, respectivly). The cyclopentane rings in both molecules A and B adopt envelope conformations with the carbon atom opposed to the (Te)C-C(N) bond as the flap. In the crystal, mol-ecules form centrosymmetric 2 + 2 associates via Te?Cl inter-actions [3.3993?(7) and 3.2030?(7)?Å]. As a result of these secondary inter-actions, the Te atom attains a strongly distorted 5 + 1 octa-hedral environment. Further, the 2 + 2 associates are bound by weak C-H?Cl hydrogen bonds into a three-dimensional framework.

SUBMITTER: Askerov RK 

PROVIDER: S-EPMC4571417 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature