Affiliations 

  • 1 Departmento de Química, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil
  • 2 Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Av. Dos Estados 5001, Bairro Bangu, CEP 09210-580 Santo André, SP, Brazil
  • 3 Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia
Acta Crystallogr E Crystallogr Commun, 2017 Apr 01;73(Pt 4):564-568.
PMID: 28435722 DOI: 10.1107/S2056989017003887

Abstract

Two independent mol-ecules comprise the asymmetric unit in the title benzoxatellurole compound, C12H17ClOTe. 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 C2ClO2 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.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.