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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...

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Detalles Bibliográficos
Autores principales: Hauptvogel, Ines, Seichter, Wilhelm, Weber, Edwin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
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.
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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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