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

Two independent mol­ecules comprise the asymmetric unit in the title benzoxatellurole compound, C(12)H(17)ClOTe. The mol­ecules, with the same chirality at the methine C atom, are connected into a loosely associated dimer by Te⋯O inter­actions, leading to a {⋯Te—O}(2) core. The resultant C(2)ClO(2)...

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Detalles Bibliográficos
Autores principales: Zukerman-Schpector, Julio, Cunha, Rodrigo, Omori, Álvaro T., Sousa Madureira, Lucas, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5382623/
https://www.ncbi.nlm.nih.gov/pubmed/28435722
http://dx.doi.org/10.1107/S2056989017003887
Descripción
Sumario:Two independent mol­ecules comprise the asymmetric unit in the title benzoxatellurole compound, C(12)H(17)ClOTe. The mol­ecules, with the same chirality at the methine C atom, are connected into a loosely associated dimer by Te⋯O inter­actions, 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. Inter­estingly, the Te(IV) atoms exhibit opposite chirality. The major difference between the independent mol­ecules relates to the conformation of the five-membered chelate rings, which is an envelope with the O atom being the flap, in one mol­ecule and is twisted about the O—C(methine) bond in the other. No directional inter­molecular inter­actions are noted in the mol­ecular 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 mol­ecules in terms of both H⋯H and H⋯Cl/Cl⋯H contacts.