Cargando…
Crystal structure of 4′-bromo-2,5-dihydroxy-2′,5′-dimethoxy-[1,1′-biphenyl]-3,4-dicarbonitrile
In the crystal of the title substituted hemibiquinone derivative, C(16)H(11)BrN(2)O(4) or [BrHBQH(2)(CN)(2)], the substituted benzene rings are rotated about the central C—C bond, forming a dihedral angle of 53.59 (7)°. The ring systems interact through an intramolecular O—H⋯O(methoxy) hydrogen...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908508/ https://www.ncbi.nlm.nih.gov/pubmed/27308015 http://dx.doi.org/10.1107/S2056989016005715 |
_version_ | 1782437694234689536 |
---|---|
author | Meany, Joseph E. Kelley, Steven P. Rogers, Robin D. Woski, Stephen A. |
author_facet | Meany, Joseph E. Kelley, Steven P. Rogers, Robin D. Woski, Stephen A. |
author_sort | Meany, Joseph E. |
collection | PubMed |
description | In the crystal of the title substituted hemibiquinone derivative, C(16)H(11)BrN(2)O(4) or [BrHBQH(2)(CN)(2)], the substituted benzene rings are rotated about the central C—C bond, forming a dihedral angle of 53.59 (7)°. The ring systems interact through an intramolecular O—H⋯O(methoxy) hydrogen bond, which induces a geometry quite different from those in previously reported hemibiquinone structures. In the crystal, the molecules associate through an intermolecular O—H⋯N(nitrile) hydrogen bond, forming chains which extend along [100] and are interlinked through very weak C—H⋯N hydrogen bonds, giving a overall two-dimensional structure lying parallel to (010). |
format | Online Article Text |
id | pubmed-4908508 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-49085082016-06-15 Crystal structure of 4′-bromo-2,5-dihydroxy-2′,5′-dimethoxy-[1,1′-biphenyl]-3,4-dicarbonitrile Meany, Joseph E. Kelley, Steven P. Rogers, Robin D. Woski, Stephen A. Acta Crystallogr E Crystallogr Commun Research Communications In the crystal of the title substituted hemibiquinone derivative, C(16)H(11)BrN(2)O(4) or [BrHBQH(2)(CN)(2)], the substituted benzene rings are rotated about the central C—C bond, forming a dihedral angle of 53.59 (7)°. The ring systems interact through an intramolecular O—H⋯O(methoxy) hydrogen bond, which induces a geometry quite different from those in previously reported hemibiquinone structures. In the crystal, the molecules associate through an intermolecular O—H⋯N(nitrile) hydrogen bond, forming chains which extend along [100] and are interlinked through very weak C—H⋯N hydrogen bonds, giving a overall two-dimensional structure lying parallel to (010). International Union of Crystallography 2016-04-12 /pmc/articles/PMC4908508/ /pubmed/27308015 http://dx.doi.org/10.1107/S2056989016005715 Text en © Meany et al. 2016 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 | Research Communications Meany, Joseph E. Kelley, Steven P. Rogers, Robin D. Woski, Stephen A. Crystal structure of 4′-bromo-2,5-dihydroxy-2′,5′-dimethoxy-[1,1′-biphenyl]-3,4-dicarbonitrile |
title | Crystal structure of 4′-bromo-2,5-dihydroxy-2′,5′-dimethoxy-[1,1′-biphenyl]-3,4-dicarbonitrile |
title_full | Crystal structure of 4′-bromo-2,5-dihydroxy-2′,5′-dimethoxy-[1,1′-biphenyl]-3,4-dicarbonitrile |
title_fullStr | Crystal structure of 4′-bromo-2,5-dihydroxy-2′,5′-dimethoxy-[1,1′-biphenyl]-3,4-dicarbonitrile |
title_full_unstemmed | Crystal structure of 4′-bromo-2,5-dihydroxy-2′,5′-dimethoxy-[1,1′-biphenyl]-3,4-dicarbonitrile |
title_short | Crystal structure of 4′-bromo-2,5-dihydroxy-2′,5′-dimethoxy-[1,1′-biphenyl]-3,4-dicarbonitrile |
title_sort | crystal structure of 4′-bromo-2,5-dihydroxy-2′,5′-dimethoxy-[1,1′-biphenyl]-3,4-dicarbonitrile |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908508/ https://www.ncbi.nlm.nih.gov/pubmed/27308015 http://dx.doi.org/10.1107/S2056989016005715 |
work_keys_str_mv | AT meanyjosephe crystalstructureof4bromo25dihydroxy25dimethoxy11biphenyl34dicarbonitrile AT kelleystevenp crystalstructureof4bromo25dihydroxy25dimethoxy11biphenyl34dicarbonitrile AT rogersrobind crystalstructureof4bromo25dihydroxy25dimethoxy11biphenyl34dicarbonitrile AT woskistephena crystalstructureof4bromo25dihydroxy25dimethoxy11biphenyl34dicarbonitrile |