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⋯π 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.
Highlights
The title compounds, C16H14O2S2 and C16H14O3S, which are monomeric models for a polythionoester and a poly(ester-co-thionoester), respectively, crystallize in the space group P21/c and are isostructural with each other
The carbonyl and thiocarbonyl groups of the model E compound are each disordered over two equivalent sites about the inversion centre with equal occupancies
It is well established that the solution, mechanical and thermal properties of such aromatic polymers are essentially determined by the conformational characteristics of the Y—CH2—CH2—Y unit and intermolecular interactions between the benzene rings (Sasanuma, 2009; Sasanuma et al, 2013)
Summary
It is well established that the solution, mechanical and thermal properties of such aromatic polymers are essentially determined by the conformational characteristics of the Y—CH2—CH2—Y unit (referred hereafter to as the spacer) and intermolecular interactions between the benzene rings (Sasanuma, 2009; Sasanuma et al., 2013). This study has aimed to determine crystal structures of the title compounds (models D and E) to predict the crystal conformations of polymers D and E on the above hypothesis. S [C1—S1i = 3.391 (3) and 3.308 (3) Å for models D and E, respectively; symmetry code: (i) x, –y + 12, z – 12] Both compounds have C—H interactions (Tables 1 and 2). Form layer structures parallel to the bc plane via these intermolecular interactions (Figs. 3 and 4)
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