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2,6-Dibromo-4-(2-hy­droxy­eth­yl)phenol

The title compound, C(8)H(8)Br(2)O(2), crystallized with two independent mol­ecules (A and B) in the asymmetric unit. They differ in the conformation of the 2-hy­droxy­ethyl chain with the C—C—C—O torsion angle being −68.0 (12)° in mol­ecule A and 172.2 (9)° in mol­ecule B. In the crystal, the A mol...

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Autores principales: Lu, Ding-qiang, Chai, Hong, Ling, Xiu-quan, Chen, Jia, Wang, Jia-li
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238923/
https://www.ncbi.nlm.nih.gov/pubmed/22199772
http://dx.doi.org/10.1107/S1600536811046538
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author Lu, Ding-qiang
Chai, Hong
Ling, Xiu-quan
Chen, Jia
Wang, Jia-li
author_facet Lu, Ding-qiang
Chai, Hong
Ling, Xiu-quan
Chen, Jia
Wang, Jia-li
author_sort Lu, Ding-qiang
collection PubMed
description The title compound, C(8)H(8)Br(2)O(2), crystallized with two independent mol­ecules (A and B) in the asymmetric unit. They differ in the conformation of the 2-hy­droxy­ethyl chain with the C—C—C—O torsion angle being −68.0 (12)° in mol­ecule A and 172.2 (9)° in mol­ecule B. In the crystal, the A mol­ecules are linked via pairs of O—H⋯O hydrogen bonds, forming inversion dimers, while the B mol­ecules are linked via an O—H⋯O hydrogen bond, forming a polymeric chain propagating in [010]. In addition, there are O—H⋯O and O—H⋯Br hydrogen bonds, and Br⋯Br [3.599 (2) Å] and π–π inter­actions [centroid–centroid distances = 3.581 (6) and 3.931 (6) Å], leading to the formation of a two-dimensional network parallel to (001).
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spelling pubmed-32389232011-12-23 2,6-Dibromo-4-(2-hy­droxy­eth­yl)phenol Lu, Ding-qiang Chai, Hong Ling, Xiu-quan Chen, Jia Wang, Jia-li Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(8)H(8)Br(2)O(2), crystallized with two independent mol­ecules (A and B) in the asymmetric unit. They differ in the conformation of the 2-hy­droxy­ethyl chain with the C—C—C—O torsion angle being −68.0 (12)° in mol­ecule A and 172.2 (9)° in mol­ecule B. In the crystal, the A mol­ecules are linked via pairs of O—H⋯O hydrogen bonds, forming inversion dimers, while the B mol­ecules are linked via an O—H⋯O hydrogen bond, forming a polymeric chain propagating in [010]. In addition, there are O—H⋯O and O—H⋯Br hydrogen bonds, and Br⋯Br [3.599 (2) Å] and π–π inter­actions [centroid–centroid distances = 3.581 (6) and 3.931 (6) Å], leading to the formation of a two-dimensional network parallel to (001). International Union of Crystallography 2011-11-12 /pmc/articles/PMC3238923/ /pubmed/22199772 http://dx.doi.org/10.1107/S1600536811046538 Text en © Lu et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Lu, Ding-qiang
Chai, Hong
Ling, Xiu-quan
Chen, Jia
Wang, Jia-li
2,6-Dibromo-4-(2-hy­droxy­eth­yl)phenol
title 2,6-Dibromo-4-(2-hy­droxy­eth­yl)phenol
title_full 2,6-Dibromo-4-(2-hy­droxy­eth­yl)phenol
title_fullStr 2,6-Dibromo-4-(2-hy­droxy­eth­yl)phenol
title_full_unstemmed 2,6-Dibromo-4-(2-hy­droxy­eth­yl)phenol
title_short 2,6-Dibromo-4-(2-hy­droxy­eth­yl)phenol
title_sort 2,6-dibromo-4-(2-hy­droxy­eth­yl)phenol
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238923/
https://www.ncbi.nlm.nih.gov/pubmed/22199772
http://dx.doi.org/10.1107/S1600536811046538
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