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1,3,5-Tri-p-tolyl­pentane-1,5-diol

In the title compound, C(26)H(30)O(2), the central benzene ring forms dihedral angles of 14.85 (15) and 28.17 (14)° with the terminal benzene rings. The dihedral angle between the terminal benzene rings is 32.14 (13)°. The crystal packing exhibits two strong inter­molecular O—H⋯O hydrogen bonds, for...

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Autores principales: Thiruvalluvar, A., Chithiravel, R., Muthusubramanian, S., Butcher, R. J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998290/
https://www.ncbi.nlm.nih.gov/pubmed/24764851
http://dx.doi.org/10.1107/S160053681400018X
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author Thiruvalluvar, A.
Chithiravel, R.
Muthusubramanian, S.
Butcher, R. J.
author_facet Thiruvalluvar, A.
Chithiravel, R.
Muthusubramanian, S.
Butcher, R. J.
author_sort Thiruvalluvar, A.
collection PubMed
description In the title compound, C(26)H(30)O(2), the central benzene ring forms dihedral angles of 14.85 (15) and 28.17 (14)° with the terminal benzene rings. The dihedral angle between the terminal benzene rings is 32.14 (13)°. The crystal packing exhibits two strong inter­molecular O—H⋯O hydrogen bonds, forming directed four-membered co-operative rings. A region of disordered electron density, most probably disordered ethyl acetate solvent mol­ecules, occupying voids of ca 519 Å(3) for an electron count of 59, was treated using the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155]. Their formula mass and unit-cell characteristics were not taken into account during refinement. The structure was refined as an inversion twin [absolute structure parameter = −0.3 (4)].
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spelling pubmed-39982902014-04-24 1,3,5-Tri-p-tolyl­pentane-1,5-diol Thiruvalluvar, A. Chithiravel, R. Muthusubramanian, S. Butcher, R. J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(26)H(30)O(2), the central benzene ring forms dihedral angles of 14.85 (15) and 28.17 (14)° with the terminal benzene rings. The dihedral angle between the terminal benzene rings is 32.14 (13)°. The crystal packing exhibits two strong inter­molecular O—H⋯O hydrogen bonds, forming directed four-membered co-operative rings. A region of disordered electron density, most probably disordered ethyl acetate solvent mol­ecules, occupying voids of ca 519 Å(3) for an electron count of 59, was treated using the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155]. Their formula mass and unit-cell characteristics were not taken into account during refinement. The structure was refined as an inversion twin [absolute structure parameter = −0.3 (4)]. International Union of Crystallography 2014-01-11 /pmc/articles/PMC3998290/ /pubmed/24764851 http://dx.doi.org/10.1107/S160053681400018X Text en © Thiruvalluvar et al. 2014 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
Thiruvalluvar, A.
Chithiravel, R.
Muthusubramanian, S.
Butcher, R. J.
1,3,5-Tri-p-tolyl­pentane-1,5-diol
title 1,3,5-Tri-p-tolyl­pentane-1,5-diol
title_full 1,3,5-Tri-p-tolyl­pentane-1,5-diol
title_fullStr 1,3,5-Tri-p-tolyl­pentane-1,5-diol
title_full_unstemmed 1,3,5-Tri-p-tolyl­pentane-1,5-diol
title_short 1,3,5-Tri-p-tolyl­pentane-1,5-diol
title_sort 1,3,5-tri-p-tolyl­pentane-1,5-diol
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998290/
https://www.ncbi.nlm.nih.gov/pubmed/24764851
http://dx.doi.org/10.1107/S160053681400018X
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