2-(Biphenyl-4-yl)propan-2-ol

The title compound, C(15)H(16)O, crystallizes with two independent mol­ecules in the asymmetric unit. Due to the space-group symmetry, this results in the formation of a tetra­mer where the four mol­ecules are connected by O—H⋯O hydrogen bonds. The mol­ecules pack parallel to the c axis. Both mol­ec...

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Detalles Bibliográficos
Autores principales: Modau, Eric, Liles, David C., van Rooyen, Petrus H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297307/
https://www.ncbi.nlm.nih.gov/pubmed/22412497
http://dx.doi.org/10.1107/S1600536812003716
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author Modau, Eric
Liles, David C.
van Rooyen, Petrus H.
author_facet Modau, Eric
Liles, David C.
van Rooyen, Petrus H.
author_sort Modau, Eric
collection PubMed
description The title compound, C(15)H(16)O, crystallizes with two independent mol­ecules in the asymmetric unit. Due to the space-group symmetry, this results in the formation of a tetra­mer where the four mol­ecules are connected by O—H⋯O hydrogen bonds. The mol­ecules pack parallel to the c axis. Both mol­ecules in the asymmetric unit are nonplanar and the dihedral angles between connected aromatic rings in each mol­ecule are 7.96 (12) and 9.75 (13)°. This contrasts with the gas phase density functional theory (DFT) optimized conformation, where this dihedral angle is 39.33°.
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spelling pubmed-32973072012-03-12 2-(Biphenyl-4-yl)propan-2-ol Modau, Eric Liles, David C. van Rooyen, Petrus H. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(15)H(16)O, crystallizes with two independent mol­ecules in the asymmetric unit. Due to the space-group symmetry, this results in the formation of a tetra­mer where the four mol­ecules are connected by O—H⋯O hydrogen bonds. The mol­ecules pack parallel to the c axis. Both mol­ecules in the asymmetric unit are nonplanar and the dihedral angles between connected aromatic rings in each mol­ecule are 7.96 (12) and 9.75 (13)°. This contrasts with the gas phase density functional theory (DFT) optimized conformation, where this dihedral angle is 39.33°. International Union of Crystallography 2012-02-04 /pmc/articles/PMC3297307/ /pubmed/22412497 http://dx.doi.org/10.1107/S1600536812003716 Text en © Modau et al. 2012 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
Modau, Eric
Liles, David C.
van Rooyen, Petrus H.
2-(Biphenyl-4-yl)propan-2-ol
title 2-(Biphenyl-4-yl)propan-2-ol
title_full 2-(Biphenyl-4-yl)propan-2-ol
title_fullStr 2-(Biphenyl-4-yl)propan-2-ol
title_full_unstemmed 2-(Biphenyl-4-yl)propan-2-ol
title_short 2-(Biphenyl-4-yl)propan-2-ol
title_sort 2-(biphenyl-4-yl)propan-2-ol
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297307/
https://www.ncbi.nlm.nih.gov/pubmed/22412497
http://dx.doi.org/10.1107/S1600536812003716
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AT vanrooyenpetrush 2biphenyl4ylpropan2ol

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