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

ABSTRACT: In dimethyl 5-iodo-isophthalate, C10H9IO4, (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, C12H10O4, (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-Hethyn-yl?O=C hydrogen bonds to infinite strands. Moreover, ?-? arene stacking inter-actions connect the mol-ecular chains into two-dimensional supra-molecular aggregates.

SUBMITTER: Hauptvogel I

PROVIDER: S-EPMC6073011 | biostudies-literature | 2018 Aug

REPOSITORIES: biostudies-literature

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

Hauptvogel Ines I Seichter Wilhelm W Weber Edwin E

Acta crystallographica. Section E, Crystallographic communications 20180713 Pt 8

In dimethyl 5-iodo-isophthalate, C10H9IO4, (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, C12H10O4, (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 ...[more]

PMID: 30116569

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