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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...

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Detalles Bibliográficos
Autores principales: Jiang, Yan-Ke, Hou, Gui-Ge
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
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.
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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
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