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Crystal structure and Hirshfeld surface analysis of 2,5-di­bromo­terephthalic acid ethyl­ene glycol monosolvate

The title compound, C(8)H(4)Br(2)O(4)·C(2)H(6)O(2), crystallizes with one-half of a 2,5-di­bromo­terephthalic acid (H(2)Br(2)tp) mol­ecule and one-half of an ethyl­ene glycol (EG) mol­ecule in the the asymmetric unit. The whole mol­ecules are generated by application of inversion symmetry. The H(2)B...

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Autores principales: Khotchasanthong, Kenika, Jittirattanakun, Siripak, Jiajaroen, Suwadee, Theppitak, Chatphorn, Chainok, Kittipong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690441/
https://www.ncbi.nlm.nih.gov/pubmed/31417797
http://dx.doi.org/10.1107/S2056989019010260
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author Khotchasanthong, Kenika
Jittirattanakun, Siripak
Jiajaroen, Suwadee
Theppitak, Chatphorn
Chainok, Kittipong
author_facet Khotchasanthong, Kenika
Jittirattanakun, Siripak
Jiajaroen, Suwadee
Theppitak, Chatphorn
Chainok, Kittipong
author_sort Khotchasanthong, Kenika
collection PubMed
description The title compound, C(8)H(4)Br(2)O(4)·C(2)H(6)O(2), crystallizes with one-half of a 2,5-di­bromo­terephthalic acid (H(2)Br(2)tp) mol­ecule and one-half of an ethyl­ene glycol (EG) mol­ecule in the the asymmetric unit. The whole mol­ecules are generated by application of inversion symmetry. The H(2)Br(2)tp mol­ecule is not planar, with the di­bromo­benzene ring system inclined by a dihedral angle of 18.62 (3)° to the carb­oxy­lic group. In the crystal, the H(2)Br(2)tp and EG mol­ecules are linked into sheets propagating parallel to ([Image: see text]01) through O—H⋯O hydrogen bonds, thereby forming R (4) (4) (12) and R (4) (4) (28) graph-set motifs. Br⋯O and weak π–π stacking inter­actions are also observed. Hirshfeld surface analysis was used to confirm the existence of these inter­actions.
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spelling pubmed-66904412019-08-15 Crystal structure and Hirshfeld surface analysis of 2,5-di­bromo­terephthalic acid ethyl­ene glycol monosolvate Khotchasanthong, Kenika Jittirattanakun, Siripak Jiajaroen, Suwadee Theppitak, Chatphorn Chainok, Kittipong Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(8)H(4)Br(2)O(4)·C(2)H(6)O(2), crystallizes with one-half of a 2,5-di­bromo­terephthalic acid (H(2)Br(2)tp) mol­ecule and one-half of an ethyl­ene glycol (EG) mol­ecule in the the asymmetric unit. The whole mol­ecules are generated by application of inversion symmetry. The H(2)Br(2)tp mol­ecule is not planar, with the di­bromo­benzene ring system inclined by a dihedral angle of 18.62 (3)° to the carb­oxy­lic group. In the crystal, the H(2)Br(2)tp and EG mol­ecules are linked into sheets propagating parallel to ([Image: see text]01) through O—H⋯O hydrogen bonds, thereby forming R (4) (4) (12) and R (4) (4) (28) graph-set motifs. Br⋯O and weak π–π stacking inter­actions are also observed. Hirshfeld surface analysis was used to confirm the existence of these inter­actions. International Union of Crystallography 2019-07-23 /pmc/articles/PMC6690441/ /pubmed/31417797 http://dx.doi.org/10.1107/S2056989019010260 Text en © Khotchasanthong et al. 2019 http://creativecommons.org/licenses/by/4.0/ 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/4.0/
spellingShingle Research Communications
Khotchasanthong, Kenika
Jittirattanakun, Siripak
Jiajaroen, Suwadee
Theppitak, Chatphorn
Chainok, Kittipong
Crystal structure and Hirshfeld surface analysis of 2,5-di­bromo­terephthalic acid ethyl­ene glycol monosolvate
title Crystal structure and Hirshfeld surface analysis of 2,5-di­bromo­terephthalic acid ethyl­ene glycol monosolvate
title_full Crystal structure and Hirshfeld surface analysis of 2,5-di­bromo­terephthalic acid ethyl­ene glycol monosolvate
title_fullStr Crystal structure and Hirshfeld surface analysis of 2,5-di­bromo­terephthalic acid ethyl­ene glycol monosolvate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 2,5-di­bromo­terephthalic acid ethyl­ene glycol monosolvate
title_short Crystal structure and Hirshfeld surface analysis of 2,5-di­bromo­terephthalic acid ethyl­ene glycol monosolvate
title_sort crystal structure and hirshfeld surface analysis of 2,5-di­bromo­terephthalic acid ethyl­ene glycol monosolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690441/
https://www.ncbi.nlm.nih.gov/pubmed/31417797
http://dx.doi.org/10.1107/S2056989019010260
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