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Crystal structures of dimethyl 5-iodoisophthalate and dimethyl 5-ethynylisophthalate
In dimethyl 5-iodoisophthalate, C(10)H(9)IO(4), (I), the planes through the methyl carboxylate moieties are tilted with respect to the benzene ring, whereas the molecular framework of dimethyl 5-ethynylisophthalate, C(12)H(10)O(4), (II), is perfectly planar. The crystal structure of (I) is stabil...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6073011/ https://www.ncbi.nlm.nih.gov/pubmed/30116569 http://dx.doi.org/10.1107/S205698901800912X |
Sumario: | In dimethyl 5-iodoisophthalate, C(10)H(9)IO(4), (I), the planes through the methyl carboxylate moieties are tilted with respect to the benzene ring, whereas the molecular framework of dimethyl 5-ethynylisophthalate, C(12)H(10)O(4), (II), is perfectly planar. The crystal structure of (I) is stabilized by a three-dimensional supramolecular network comprising C—H⋯O=C hydrogen bonds, as well as I⋯O=C interactions. In the crystal of (II), the molecules are connected via C—H(ethynyl)⋯O=C hydrogen bonds to infinite strands. Moreover, π–π arene stacking interactions connect the molecular chains into two-dimensional supramolecular aggregates. |
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