Title of article :
1-Butyl-1-chloro-3-methyl-3H-2,1λ4-benzoxa­tellurole: crystal structure and Hirshfeld analysis
Author/Authors :
Zukerman-Schpector, Julio Departmento de Química - Universidade Federal de São Carlos, Brazil , Cunha, Rodrigo Centro de Ciências Naturais e Humanas - Universidade Federal do ABC, Brazil , Cunha, Rodrigo Centro de Ciências Naturais e Humanas - Universidade Federal do ABC, Brazil , Omori, Álvaro T. Centro de Ciências Naturais e Humanas - Universidade Federal do ABC, Brazil , Madureira, Lucas Sousa Departmento de Química - Universidade Federal de São Carlos, Brazil , Tiekink, Edward R. T. Centre for Crystalline Materials - School of Science and Technology - Sunway University, Malaysia
Pages :
11
From page :
1
To page :
11
Abstract :
Two independent mol­ecules comprise the asymmetric unit in the title benzoxatellurole compound, C12H17ClOTe. 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 C2ClO2 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 TeIV 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.
Keywords :
crystal structure , heavy-atom chirality , Hirshfeld surface analysis , tellurium
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2017
Full Text URL :
Record number :
2621577
Link To Document :
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