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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2019
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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. |
format | Online Article Text |
id | pubmed-6690441 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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