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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 |
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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 |
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author | Hauptvogel, Ines Seichter, Wilhelm Weber, Edwin |
author_facet | Hauptvogel, Ines Seichter, Wilhelm Weber, Edwin |
author_sort | Hauptvogel, Ines |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-6073011 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-60730112018-08-16 Crystal structures of dimethyl 5-iodoisophthalate and dimethyl 5-ethynylisophthalate Hauptvogel, Ines Seichter, Wilhelm Weber, Edwin Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2018-07-13 /pmc/articles/PMC6073011/ /pubmed/30116569 http://dx.doi.org/10.1107/S205698901800912X Text en © Hauptvogel et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Hauptvogel, Ines Seichter, Wilhelm Weber, Edwin Crystal structures of dimethyl 5-iodoisophthalate and dimethyl 5-ethynylisophthalate |
title | Crystal structures of dimethyl 5-iodoisophthalate and dimethyl 5-ethynylisophthalate |
title_full | Crystal structures of dimethyl 5-iodoisophthalate and dimethyl 5-ethynylisophthalate |
title_fullStr | Crystal structures of dimethyl 5-iodoisophthalate and dimethyl 5-ethynylisophthalate |
title_full_unstemmed | Crystal structures of dimethyl 5-iodoisophthalate and dimethyl 5-ethynylisophthalate |
title_short | Crystal structures of dimethyl 5-iodoisophthalate and dimethyl 5-ethynylisophthalate |
title_sort | crystal structures of dimethyl 5-iodoisophthalate and dimethyl 5-ethynylisophthalate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6073011/ https://www.ncbi.nlm.nih.gov/pubmed/30116569 http://dx.doi.org/10.1107/S205698901800912X |
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