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2-(4-Methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one–6-chloro-2-(4-methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one (19/1)
The title co-crystal, 0.95C(20)H(20)O(3)·0.05C(20)H(19)ClO(3), arises as the chloride carried over during the synthesis shares a position with an aromatic H atom; the partial occupancies are 0.947 (2) and 0.053 (2) for H and Cl, respectively. The molecular structure is stabilized by intramolecular...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3415021/ https://www.ncbi.nlm.nih.gov/pubmed/22905008 http://dx.doi.org/10.1107/S1600536812033430 |
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author | Barot, Vijay M. Jotani, Mukesh M. Maheta, Jeshal G. |
author_facet | Barot, Vijay M. Jotani, Mukesh M. Maheta, Jeshal G. |
author_sort | Barot, Vijay M. |
collection | PubMed |
description | The title co-crystal, 0.95C(20)H(20)O(3)·0.05C(20)H(19)ClO(3), arises as the chloride carried over during the synthesis shares a position with an aromatic H atom; the partial occupancies are 0.947 (2) and 0.053 (2) for H and Cl, respectively. The molecular structure is stabilized by intramolecular C—H⋯O contacts, forming pseudo five- and six-membered rings with S(5) and S(6) graph-set motifs, respectively. The crystal structure features π–π stacking interactions between the centroids of the central fused ring systems [centroid–centroid distance = 3.501 (2) Å]. |
format | Online Article Text |
id | pubmed-3415021 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34150212012-08-17 2-(4-Methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one–6-chloro-2-(4-methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one (19/1) Barot, Vijay M. Jotani, Mukesh M. Maheta, Jeshal G. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title co-crystal, 0.95C(20)H(20)O(3)·0.05C(20)H(19)ClO(3), arises as the chloride carried over during the synthesis shares a position with an aromatic H atom; the partial occupancies are 0.947 (2) and 0.053 (2) for H and Cl, respectively. The molecular structure is stabilized by intramolecular C—H⋯O contacts, forming pseudo five- and six-membered rings with S(5) and S(6) graph-set motifs, respectively. The crystal structure features π–π stacking interactions between the centroids of the central fused ring systems [centroid–centroid distance = 3.501 (2) Å]. International Union of Crystallography 2012-07-28 /pmc/articles/PMC3415021/ /pubmed/22905008 http://dx.doi.org/10.1107/S1600536812033430 Text en © Barot 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 Barot, Vijay M. Jotani, Mukesh M. Maheta, Jeshal G. 2-(4-Methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one–6-chloro-2-(4-methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one (19/1) |
title | 2-(4-Methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one–6-chloro-2-(4-methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one (19/1) |
title_full | 2-(4-Methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one–6-chloro-2-(4-methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one (19/1) |
title_fullStr | 2-(4-Methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one–6-chloro-2-(4-methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one (19/1) |
title_full_unstemmed | 2-(4-Methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one–6-chloro-2-(4-methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one (19/1) |
title_short | 2-(4-Methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one–6-chloro-2-(4-methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one (19/1) |
title_sort | 2-(4-methylphenyl)-7-(2-methylpropoxy)-4h-chromen-4-one–6-chloro-2-(4-methylphenyl)-7-(2-methylpropoxy)-4h-chromen-4-one (19/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3415021/ https://www.ncbi.nlm.nih.gov/pubmed/22905008 http://dx.doi.org/10.1107/S1600536812033430 |
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