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rac-3-(4-Hydroxybenzyl)chroman-4-one
In the racemic title compound, C(16)H(14)O(3), the ring of the 4-hydroxybenzyl substituent group forms a dihedral angle of 80.12 (12)° with the benzene ring of the chromanone system. Two C atoms of the pyranone ring and the H atoms on the benzyl α-C atom are disordered over two sites, with site-o...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772453/ https://www.ncbi.nlm.nih.gov/pubmed/24046596 http://dx.doi.org/10.1107/S1600536813014645 |
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author | Shalini, S. Girija, C. R. Simon, Lalitha Srinivasan, K. K. Venkatesha, T. V. |
author_facet | Shalini, S. Girija, C. R. Simon, Lalitha Srinivasan, K. K. Venkatesha, T. V. |
author_sort | Shalini, S. |
collection | PubMed |
description | In the racemic title compound, C(16)H(14)O(3), the ring of the 4-hydroxybenzyl substituent group forms a dihedral angle of 80.12 (12)° with the benzene ring of the chromanone system. Two C atoms of the pyranone ring and the H atoms on the benzyl α-C atom are disordered over two sites, with site-occupation factors of 0.818 (8) and 0.182 (8). The crystal structure is stabilized by O—H⋯O hydrogen bonds, which form parallel one-dimensional zigzag chains down the c axis and are interconnected by both methine C—H⋯O hydrogen bonds and weak aromatic C—H⋯π interactions, giving a sheet structure lying parallel to [011]. |
format | Online Article Text |
id | pubmed-3772453 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-37724532013-09-17 rac-3-(4-Hydroxybenzyl)chroman-4-one Shalini, S. Girija, C. R. Simon, Lalitha Srinivasan, K. K. Venkatesha, T. V. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the racemic title compound, C(16)H(14)O(3), the ring of the 4-hydroxybenzyl substituent group forms a dihedral angle of 80.12 (12)° with the benzene ring of the chromanone system. Two C atoms of the pyranone ring and the H atoms on the benzyl α-C atom are disordered over two sites, with site-occupation factors of 0.818 (8) and 0.182 (8). The crystal structure is stabilized by O—H⋯O hydrogen bonds, which form parallel one-dimensional zigzag chains down the c axis and are interconnected by both methine C—H⋯O hydrogen bonds and weak aromatic C—H⋯π interactions, giving a sheet structure lying parallel to [011]. International Union of Crystallography 2013-06-08 /pmc/articles/PMC3772453/ /pubmed/24046596 http://dx.doi.org/10.1107/S1600536813014645 Text en © Shalini et al. 2013 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 Shalini, S. Girija, C. R. Simon, Lalitha Srinivasan, K. K. Venkatesha, T. V. rac-3-(4-Hydroxybenzyl)chroman-4-one |
title |
rac-3-(4-Hydroxybenzyl)chroman-4-one |
title_full |
rac-3-(4-Hydroxybenzyl)chroman-4-one |
title_fullStr |
rac-3-(4-Hydroxybenzyl)chroman-4-one |
title_full_unstemmed |
rac-3-(4-Hydroxybenzyl)chroman-4-one |
title_short |
rac-3-(4-Hydroxybenzyl)chroman-4-one |
title_sort | rac-3-(4-hydroxybenzyl)chroman-4-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772453/ https://www.ncbi.nlm.nih.gov/pubmed/24046596 http://dx.doi.org/10.1107/S1600536813014645 |
work_keys_str_mv | AT shalinis rac34hydroxybenzylchroman4one AT girijacr rac34hydroxybenzylchroman4one AT simonlalitha rac34hydroxybenzylchroman4one AT srinivasankk rac34hydroxybenzylchroman4one AT venkateshatv rac34hydroxybenzylchroman4one |