4,7,8-Trimethyl-2H-chromen-2-one

The mol­ecule of the title compound, C(12)H(12)O(2), is essentially planar, with a maximum deviation from the mean plane of all non-H atoms of 0.038 (1) Å for the methyl C atom in the 8-position. The crystal structure is characterized by anti­parallel π–π stacking along the c axis, with centroid–cen...

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Detalles Bibliográficos
Autores principales: Yang, Jian-Xin, Tan, Xue-Mei, Wang, Xiang-Hui, Wang, Yin
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/PMC3343979/
https://www.ncbi.nlm.nih.gov/pubmed/22589888
http://dx.doi.org/10.1107/S1600536812009646
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author Yang, Jian-Xin
Tan, Xue-Mei
Wang, Xiang-Hui
Wang, Yin
author_facet Yang, Jian-Xin
Tan, Xue-Mei
Wang, Xiang-Hui
Wang, Yin
author_sort Yang, Jian-Xin
collection PubMed
description The mol­ecule of the title compound, C(12)H(12)O(2), is essentially planar, with a maximum deviation from the mean plane of all non-H atoms of 0.038 (1) Å for the methyl C atom in the 8-position. The crystal structure is characterized by anti­parallel π–π stacking along the c axis, with centroid–centroid distances as short as 3.866 (1) Å. In the crystal, C—H⋯O hydrogen bonds connect the mol­ecules across the stacks into ribbons in the a-axis direction.
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spelling pubmed-33439792012-05-15 4,7,8-Trimethyl-2H-chromen-2-one Yang, Jian-Xin Tan, Xue-Mei Wang, Xiang-Hui Wang, Yin Acta Crystallogr Sect E Struct Rep Online Organic Papers The mol­ecule of the title compound, C(12)H(12)O(2), is essentially planar, with a maximum deviation from the mean plane of all non-H atoms of 0.038 (1) Å for the methyl C atom in the 8-position. The crystal structure is characterized by anti­parallel π–π stacking along the c axis, with centroid–centroid distances as short as 3.866 (1) Å. In the crystal, C—H⋯O hydrogen bonds connect the mol­ecules across the stacks into ribbons in the a-axis direction. International Union of Crystallography 2012-03-10 /pmc/articles/PMC3343979/ /pubmed/22589888 http://dx.doi.org/10.1107/S1600536812009646 Text en © Yang 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
Yang, Jian-Xin
Tan, Xue-Mei
Wang, Xiang-Hui
Wang, Yin
4,7,8-Trimethyl-2H-chromen-2-one
title 4,7,8-Trimethyl-2H-chromen-2-one
title_full 4,7,8-Trimethyl-2H-chromen-2-one
title_fullStr 4,7,8-Trimethyl-2H-chromen-2-one
title_full_unstemmed 4,7,8-Trimethyl-2H-chromen-2-one
title_short 4,7,8-Trimethyl-2H-chromen-2-one
title_sort 4,7,8-trimethyl-2h-chromen-2-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343979/
https://www.ncbi.nlm.nih.gov/pubmed/22589888
http://dx.doi.org/10.1107/S1600536812009646
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