1-Butyl-1-chloro-3-methyl-3H-2,1λ4-benzoxa­tellurole: crystal structure and Hirshfeld analysis

Acta Crystallographica Section E: Crystallographic Communications

Sousa Madureira, L.³  Zukerman-Schpector, J.⁴  Cunha, R.L.O.R.⁵  Tiekink, E.R.T.⁶  Omori, Á⁷  .T.⁸ 

[1] , SP, Brazil;Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia;Centro de CiêDepartmento de Química, Universidade Federal de Sãncias Naturais e Humanas, Universidade Federal do ABC, Av. Dos Estados 5001, Bairro Bangu, CEP 09210-580 Santo Andréo Carlos, 13565-905 São Carlos, SP, Brazil

关键词: CRYSTAL STRUCTURE;    TELLURIUM;    HIRSHFELD SURFACE ANALYSIS;    HEAVY-ATOM CHIRALITY;   

DOI  :  10.1107/S2056989017003887

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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.

【 授权许可】

CC BY