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Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one
The asymmetric unit of the title compound, C(13)H(14)O(3), contains two independent molecules, A and B, that are interconnected through an offset π–π interaction [inter-centroid separation = 3.6087 (4) Å]. The fused benzene and pyran-2-one rings in each molecule are essentially coplanar, having...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257269/ https://www.ncbi.nlm.nih.gov/pubmed/25484772 http://dx.doi.org/10.1107/S1600536814023678 |
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author | Estrada-Soto, Samuel Sánchez-Recillas, Amanda Navarrete-Vázquez, Gabriel Tlahuext, Hugo |
author_facet | Estrada-Soto, Samuel Sánchez-Recillas, Amanda Navarrete-Vázquez, Gabriel Tlahuext, Hugo |
author_sort | Estrada-Soto, Samuel |
collection | PubMed |
description | The asymmetric unit of the title compound, C(13)H(14)O(3), contains two independent molecules, A and B, that are interconnected through an offset π–π interaction [inter-centroid separation = 3.6087 (4) Å]. The fused benzene and pyran-2-one rings in each molecule are essentially coplanar, having dihedral angles of 1.22 (12) and 1.57 (12)° for molecules A and B, respectively. Similarly, the coumarin ring system and the 7-propoxy substituent are close to being coplanar [C—C—O—C torsion angles = 2.9 (2) and 1.4 (2)° for molecules A and B, respectively]. In the crystal, the molecules are connected by C—H⋯O hydrogen bonds, forming supramolecular tapes along [100] that are linked into a three-dimensional network by C—H⋯π interactions, as well as by the aforementioned π–π interactions. |
format | Online Article Text |
id | pubmed-4257269 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42572692014-12-05 Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one Estrada-Soto, Samuel Sánchez-Recillas, Amanda Navarrete-Vázquez, Gabriel Tlahuext, Hugo Acta Crystallogr Sect E Struct Rep Online Research Communications The asymmetric unit of the title compound, C(13)H(14)O(3), contains two independent molecules, A and B, that are interconnected through an offset π–π interaction [inter-centroid separation = 3.6087 (4) Å]. The fused benzene and pyran-2-one rings in each molecule are essentially coplanar, having dihedral angles of 1.22 (12) and 1.57 (12)° for molecules A and B, respectively. Similarly, the coumarin ring system and the 7-propoxy substituent are close to being coplanar [C—C—O—C torsion angles = 2.9 (2) and 1.4 (2)° for molecules A and B, respectively]. In the crystal, the molecules are connected by C—H⋯O hydrogen bonds, forming supramolecular tapes along [100] that are linked into a three-dimensional network by C—H⋯π interactions, as well as by the aforementioned π–π interactions. International Union of Crystallography 2014-10-31 /pmc/articles/PMC4257269/ /pubmed/25484772 http://dx.doi.org/10.1107/S1600536814023678 Text en © Estrada-Soto et al. 2014 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 | Research Communications Estrada-Soto, Samuel Sánchez-Recillas, Amanda Navarrete-Vázquez, Gabriel Tlahuext, Hugo Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one |
title | Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one |
title_full | Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one |
title_fullStr | Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one |
title_full_unstemmed | Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one |
title_short | Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one |
title_sort | crystal structure of 4-methyl-7-propoxy-2h-chromen-2-one |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257269/ https://www.ncbi.nlm.nih.gov/pubmed/25484772 http://dx.doi.org/10.1107/S1600536814023678 |
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