Redetermination of 3,5-dimethylphenol

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, C8H10O, did not report atomic coordinates. There are two molecules in the asymmetric unit, A and B, which both show approximate non-crystallographic Cs symmetry. The intra...

Full description

Bibliographic Details
Main Authors: Richard Betz, Cedric McCleland, Harold Marchand
Format: Article
Language:English
Published: International Union of Crystallography 2011-05-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536811013547
id doaj-040b3f5eeabe450fad962444579d6744
record_format Article
spelling doaj-040b3f5eeabe450fad962444579d67442020-11-24T21:30:36ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-05-01675o1152o115210.1107/S1600536811013547Redetermination of 3,5-dimethylphenolRichard BetzCedric McClelandHarold MarchandThe previous structure determination [Gillier-Pandraud et al. (1972). C. R. Acad. Sci. Ser. C, 275, 1495] of the title compound, C8H10O, did not report atomic coordinates. There are two molecules in the asymmetric unit, A and B, which both show approximate non-crystallographic Cs 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] C22(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.http://scripts.iucr.org/cgi-bin/paper?S1600536811013547
collection DOAJ
language English
format Article
sources DOAJ
author Richard Betz
Cedric McCleland
Harold Marchand
spellingShingle Richard Betz
Cedric McCleland
Harold Marchand
Redetermination of 3,5-dimethylphenol
Acta Crystallographica Section E
author_facet Richard Betz
Cedric McCleland
Harold Marchand
author_sort Richard Betz
title Redetermination of 3,5-dimethylphenol
title_short 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_sort redetermination of 3,5-dimethylphenol
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2011-05-01
description The previous structure determination [Gillier-Pandraud et al. (1972). C. R. Acad. Sci. Ser. C, 275, 1495] of the title compound, C8H10O, did not report atomic coordinates. There are two molecules in the asymmetric unit, A and B, which both show approximate non-crystallographic Cs 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] C22(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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536811013547
work_keys_str_mv AT richardbetz redeterminationof35dimethylphenol
AT cedricmccleland redeterminationof35dimethylphenol
AT haroldmarchand redeterminationof35dimethylphenol
_version_ 1725962653149429760

Similar Items