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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...

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Autores principales: Estrada-Soto, Samuel, Sánchez-Recillas, Amanda, Navarrete-Vázquez, Gabriel, Tlahuext, Hugo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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.
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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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