5,6-Di-methyl-benzo[ d][1,3]oxatellurole

Samantha Ponzo; Alanna Turner; Frank R Fronczek; Thomas Junk

doi:10.1107/S2414314623010763

5,6-Di-methyl-benzo[ d][1,3]oxatellurole

IUCrdata. 2024 Jan 5;9(Pt 1):x231076. doi: 10.1107/S2414314623010763. eCollection 2024 Jan.

Authors

Samantha Ponzo¹, Alanna Turner¹, Frank R Fronczek², Thomas Junk¹

Affiliations

¹ Department of Chemistry, Lafayette, LA 70403, USA.
² Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803, USA.

Abstract

The structure of the title compound, C₉H₁₀OTe, at 100 K has ortho-rhom-bic (P2₁2₁2) symmetry with two independent mol-ecules in the asymmetric unit (Z' = 2). The mol-ecules are folded along their Te⋯O axes, with their Te-C-O planes angled at an average of 25.1° with respect to the remaining non-H atoms, which are almost coplanar (average deviation from planarity = 0.04 Å). A Hirshfeld plot shows weak inter-molecular inter-actions between the two Te atoms located in each asymmetric mol-ecule, with a Te⋯Te distance of 3.7191 (4) Å. The structure is strongly pseudosymmetric to the space group Pccn with Z' = 1. The crystal chosen for data collection was found to be was an inversion twin.

Keywords: crystal structure; heterocyclic; organotellurium; oxatellurole; tellurium.

Grants and funding

Funding for this research was provided by: Louisiana Board of Regents (grant No. LEQSF(2011-12)-ENH-TR-01).