1-Butyl-1-chloro-3-methyl-3H-2,1λ(4)-benzoxa-tellurole: crystal structure and Hirshfeld analysis.

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作者:Zukerman-Schpector Julio, Cunha Rodrigo, Omori Álvaro T, Sousa Madureira Lucas, Tiekink Edward R T
Two independent mol-ecules comprise the asymmetric unit in the title benzoxatellurole compound, C(12)H(17)ClOTe. The mol-ecules, with the same chirality at the methine C atom, are connected into a loosely associated dimer by Te⋯O inter-actions, leading to a {⋯Te-O}(2) core. The resultant C(2)ClO(2) donor set approximates a square pyramid with the lone pair of electrons projected to occupy a position trans to the n-butyl substituent. Inter-estingly, the Te(IV) atoms exhibit opposite chirality. The major difference between the independent mol-ecules relates to the conformation of the five-membered chelate rings, which is an envelope with the O atom being the flap, in one mol-ecule and is twisted about the O-C(methine) bond in the other. No directional inter-molecular inter-actions are noted in the mol-ecular packing beyond the aforementioned Te⋯O secondary bonding. The analysis of the Hirshfeld surface reveals the dominance of H⋯H contacts, i.e. contributing about 70% to the overall surface, and clearly differentiates the immediate crystalline environments of the two independent mol-ecules in terms of both H⋯H and H⋯Cl/Cl⋯H contacts.

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