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Benzene-1,4-diol–5-(1H-imidazol-1-yl)pyrimidine (1/1)
The asymmetric unit of title compound, C(7)H(6)N(4)·C(6)H(6)O(2), contains one 5-(1H-imidazol-1-yl)pyrimidine molecule and two half benzene-1,4-diol molecules; the benzene-1,4-diol molecules are located on individual inversion centers. In the pyrimidine molecule, the imidazole ring is twisted wi...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247463/ https://www.ncbi.nlm.nih.gov/pubmed/22220081 http://dx.doi.org/10.1107/S1600536811043819 |
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author | Jiang, Yan-Ke Hou, Gui-Ge |
author_facet | Jiang, Yan-Ke Hou, Gui-Ge |
author_sort | Jiang, Yan-Ke |
collection | PubMed |
description | The asymmetric unit of title compound, C(7)H(6)N(4)·C(6)H(6)O(2), contains one 5-(1H-imidazol-1-yl)pyrimidine molecule and two half benzene-1,4-diol molecules; the benzene-1,4-diol molecules are located on individual inversion centers. In the pyrimidine molecule, the imidazole ring is twisted with respect to the pyrimidine ring at a dihedral angle of 25.73 (7)°. In the crystal, O—H⋯N hydrogen bonds link the molecules to form supramolecular chains. π–π stacking is also observed in the crystal, the centroid–centroid distance between parallel imdazole rings being 3.5543 (16) Å. |
format | Online Article Text |
id | pubmed-3247463 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32474632012-01-04 Benzene-1,4-diol–5-(1H-imidazol-1-yl)pyrimidine (1/1) Jiang, Yan-Ke Hou, Gui-Ge Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of title compound, C(7)H(6)N(4)·C(6)H(6)O(2), contains one 5-(1H-imidazol-1-yl)pyrimidine molecule and two half benzene-1,4-diol molecules; the benzene-1,4-diol molecules are located on individual inversion centers. In the pyrimidine molecule, the imidazole ring is twisted with respect to the pyrimidine ring at a dihedral angle of 25.73 (7)°. In the crystal, O—H⋯N hydrogen bonds link the molecules to form supramolecular chains. π–π stacking is also observed in the crystal, the centroid–centroid distance between parallel imdazole rings being 3.5543 (16) Å. International Union of Crystallography 2011-10-29 /pmc/articles/PMC3247463/ /pubmed/22220081 http://dx.doi.org/10.1107/S1600536811043819 Text en © Jiang and Hou 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 Jiang, Yan-Ke Hou, Gui-Ge Benzene-1,4-diol–5-(1H-imidazol-1-yl)pyrimidine (1/1) |
title | Benzene-1,4-diol–5-(1H-imidazol-1-yl)pyrimidine (1/1) |
title_full | Benzene-1,4-diol–5-(1H-imidazol-1-yl)pyrimidine (1/1) |
title_fullStr | Benzene-1,4-diol–5-(1H-imidazol-1-yl)pyrimidine (1/1) |
title_full_unstemmed | Benzene-1,4-diol–5-(1H-imidazol-1-yl)pyrimidine (1/1) |
title_short | Benzene-1,4-diol–5-(1H-imidazol-1-yl)pyrimidine (1/1) |
title_sort | benzene-1,4-diol–5-(1h-imidazol-1-yl)pyrimidine (1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247463/ https://www.ncbi.nlm.nih.gov/pubmed/22220081 http://dx.doi.org/10.1107/S1600536811043819 |
work_keys_str_mv | AT jiangyanke benzene14diol51himidazol1ylpyrimidine11 AT houguige benzene14diol51himidazol1ylpyrimidine11 |