Redetermination of 3,5-dimethyl­phenol

The previous structure determination [Gillier-Pandraud et al. (1972 ▶). C. R. Acad. Sci. Ser. C, 275, 1495] of the title compound, C(8)H(10)O, did not report atomic coordinates. There are two mol­ecules in the asymmetric unit, A and B, which both show approximate non-crystallographic C (s) symmetry....

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Detalles Bibliográficos
Autores principales: Betz, Richard, McCleland, Cedric, Marchand, Harold
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089283/
https://www.ncbi.nlm.nih.gov/pubmed/21754460
http://dx.doi.org/10.1107/S1600536811013547
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author Betz, Richard
McCleland, Cedric
Marchand, Harold
author_facet Betz, Richard
McCleland, Cedric
Marchand, Harold
author_sort Betz, Richard
collection PubMed
description The previous structure determination [Gillier-Pandraud et al. (1972 ▶). C. R. Acad. Sci. Ser. C, 275, 1495] of the title compound, C(8)H(10)O, did not report atomic coordinates. There are two mol­ecules in the asymmetric unit, A and B, which both show approximate non-crystallographic C (s) symmetry. The intra­cyclic C—C—C angles cover the range 118.74 (12)–121.76 (13)°. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds, generating [001] C (2) (2)(4) chains such that mol­ecules A and B alternate. There is no aromatic π–π stacking in the crystal as the shortest centroid–centroid distance is greater than 4.74 Å.
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spelling pubmed-30892832011-07-13 Redetermination of 3,5-dimethyl­phenol Betz, Richard McCleland, Cedric Marchand, Harold Acta Crystallogr Sect E Struct Rep Online Organic Papers The previous structure determination [Gillier-Pandraud et al. (1972 ▶). C. R. Acad. Sci. Ser. C, 275, 1495] of the title compound, C(8)H(10)O, did not report atomic coordinates. There are two mol­ecules in the asymmetric unit, A and B, which both show approximate non-crystallographic C (s) symmetry. The intra­cyclic C—C—C angles cover the range 118.74 (12)–121.76 (13)°. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds, generating [001] C (2) (2)(4) chains such that mol­ecules A and B alternate. There is no aromatic π–π stacking in the crystal as the shortest centroid–centroid distance is greater than 4.74 Å. International Union of Crystallography 2011-04-16 /pmc/articles/PMC3089283/ /pubmed/21754460 http://dx.doi.org/10.1107/S1600536811013547 Text en © Betz et al. 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
Betz, Richard
McCleland, Cedric
Marchand, Harold
Redetermination of 3,5-dimethyl­phenol
title Redetermination of 3,5-dimethyl­phenol
title_full Redetermination of 3,5-dimethyl­phenol
title_fullStr Redetermination of 3,5-dimethyl­phenol
title_full_unstemmed Redetermination of 3,5-dimethyl­phenol
title_short Redetermination of 3,5-dimethyl­phenol
title_sort redetermination of 3,5-dimethyl­phenol
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089283/
https://www.ncbi.nlm.nih.gov/pubmed/21754460
http://dx.doi.org/10.1107/S1600536811013547
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AT mcclelandcedric redeterminationof35dimethylphenol
AT marchandharold redeterminationof35dimethylphenol

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