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Crystal structures of 2-(benzenecarbothioyloxy)ethyl benzenecarbothioate and 2-(benzenecarbothioyloxy)ethyl benzoate

Authors :
Yuji Sasanuma
Syuto Tanaka
Hyuma Masu
Source :
Acta Crystallographica Section E: Crystallographic Communications, Vol 73, Iss 10, Pp 1430-1433 (2017), Acta Crystallographica Section E: Crystallographic Communications
Publication Year :
2017
Publisher :
International Union of Crystallography (IUCr), 2017.

Abstract

The title compounds are monomeric models for a polythio­noester and a poly(ester-co-thio­noester). The mol­ecules adopt all-trans structures with inter­molecular C⋯S close contacts and C—H⋯π inter­actions. Both crystals have almost the same mol­ecular packing in space group P21/c.<br />The title compounds, C16H14O2S2 and C16H14O3S, which are monomeric models (models D and E) for a polythio­noester and a poly(ester-co-thio­noester), respectively, crystallize in the space group P21/c and are isostructural with each other. The mol­ecule in each crystal is located on an inversion centre and has an all-trans structure. The asymmetric unit comprises one half-mol­ecule. In the crystal, there are inter­molecular C⋯S contacts [3.391 (3) and 3.308 (3) Å for models D and E, respectively] and C—H⋯π inter­actions, which form a layer structure parallel to the bc plane. The carbonyl and thio­carbonyl groups of the model E compound are each disordered over two equivalent sites about the inversion centre with equal occupancies.

Details

ISSN :
20569890
Volume :
73
Database :
OpenAIRE
Journal :
Acta Crystallographica Section E Crystallographic Communications
Accession number :
edsair.doi.dedup.....c63948ca5855c90714b43d72507f9189
Full Text :
https://doi.org/10.1107/s2056989017012701