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Crystal structures of 2-(benzene-carbo-thio-yloxy)ethyl benzene-carbo-thio-ate and 2-(benzene-carbo-thio-yloxy)ethyl benzoate.

ABSTRACT: The title compounds, C16H14O2S2 and C16H14O3S, which are monomeric models (models D and E) for a polythio-noester and a poly(ester-co-thio-noester), respectively, crystallize in the space group P21/c and are isostructural with each other. The mol-ecule in each crystal is located on an inversion centre and has an all-trans structure. The asymmetric unit comprises one half-mol-ecule. In the crystal, there are inter-molecular C?S contacts [3.391?(3) and 3.308?(3)?Å for models D and E, respectively] and C-H?? inter-actions, which form a layer structure parallel to the bc plane. The carbonyl and thio-carbonyl groups of the model E compound are each disordered over two equivalent sites about the inversion centre with equal occupancies.

SUBMITTER: Tanaka S

PROVIDER: S-EPMC5730289 | biostudies-other | 2017 Oct

REPOSITORIES: biostudies-other

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Crystal structures of 2-(benzene-carbo-thio-yloxy)ethyl benzene-carbo-thio-ate and 2-(benzene-carbo-thio-yloxy)ethyl benzoate.

Tanaka Syuto S Masu Hyuma H Sasanuma Yuji Y

Acta crystallographica. Section E, Crystallographic communications 20170908 Pt 10

The title compounds, C16H14O2S2 and C16H14O3S, which are monomeric models (models D and E) for a polythio-noester and a poly(ester-co-thio-noester), respectively, crystallize in the space group P21/c and are isostructural with each other. The mol-ecule in each crystal is located on an inversion centre and has an all-trans structure. The asymmetric unit comprises one h ...[more]

PMID: 29250352

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