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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, C<sub>16</sub>H<sub>14</sub>O<sub>2</sub>S<sub>2</sub> and C<sub>16</sub>H<sub>14</sub>O<sub>3</sub>S, which are monomeric models (models <b>D</b> and <b>E</b>) for a polythio-noester and a poly(ester-<i>co</i>-thio-noester), respectively, crystallize in the space group <i>P</i>2<sub>1</sub>/<i>c</i> and are isostructural with each other. The mol-ecule in each crystal is located on an inversion centre and has an all-<i>trans</i> structure. The asymmetric unit comprises one h  ...[more]

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