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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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). |
format | Online Article Text |
id | pubmed-3238923 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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