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Crystal structures of dimethyl 5-iodo-iso-phthal-ate and dimethyl 5-ethynyl-iso-phthal-ate

Acta Crystallographica Section E: Crystallographic Communications, ISSN: 2056-9890, Vol: 74, Issue: Pt 8, Page: 1093-1096
2018
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Article Description

In dimethyl 5-iodo-isophthalate, C H IO, (I), the planes through the methyl carboxyl-ate moieties are tilted with respect to the benzene ring, whereas the mol-ecular framework of dimethyl 5-ethynylisophthalate, C H O, (II), is perfectly planar. The crystal structure of (I) is stabilized by a three-dimensional supra-molecular network comprising C - H ... O=C hydrogen bonds, as well as I ... O=C inter-actions. In the crystal of (II), the mol-ecules are connected via C - H ethyn-yl ... O=C hydrogen bonds to infinite strands. Moreover, π-π arene stacking inter-actions connect the mol-ecular chains into two-dimensional supra-molecular aggregates.

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