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Crystal structure of a new polymorph of 3-acetyl-8-methoxy-2H-chromen-2-one
A new polymorphic form of the title compound, C(12)H(10)O(4), is described in the orthorhombic space group Pbca and Z = 8, as compared to polymorph I, which crystallizes in the monoclinic space group C2/c and Z = 8 [Li et al. (2012). Chin. J. Struct. Chem. 31, 1003–1007.]. In polymorph II, the cou...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895931/ https://www.ncbi.nlm.nih.gov/pubmed/31871747 http://dx.doi.org/10.1107/S2056989019015159 |
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author | Gonzalez-Carrillo, Gabino Muñiz-Valencia, Roberto García-Báez, Efren V. Martínez-Martínez, Francisco J. |
author_facet | Gonzalez-Carrillo, Gabino Muñiz-Valencia, Roberto García-Báez, Efren V. Martínez-Martínez, Francisco J. |
author_sort | Gonzalez-Carrillo, Gabino |
collection | PubMed |
description | A new polymorphic form of the title compound, C(12)H(10)O(4), is described in the orthorhombic space group Pbca and Z = 8, as compared to polymorph I, which crystallizes in the monoclinic space group C2/c and Z = 8 [Li et al. (2012). Chin. J. Struct. Chem. 31, 1003–1007.]. In polymorph II, the coumarin ring system is almost planar (r.m.s. deviation = 0.00129 Å). In the crystal, molecules are connected by Csp (3)—H⋯O and C(ar)—H⋯O hydrogen bonds, forming molecular sheets linked into zigzag shaped layers along the b-axis direction. The three-dimensional lattice is assembled through stacking of the zigzag layers by π–π interactions with a centroid-to-centroid distance of 3.600 (9) Å and antiparallel C=O⋯C=O interactions with a distance of 3.1986 (17) Å, which give rise to a helical supramolecular architecture. |
format | Online Article Text |
id | pubmed-6895931 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-68959312019-12-23 Crystal structure of a new polymorph of 3-acetyl-8-methoxy-2H-chromen-2-one Gonzalez-Carrillo, Gabino Muñiz-Valencia, Roberto García-Báez, Efren V. Martínez-Martínez, Francisco J. Acta Crystallogr E Crystallogr Commun Research Communications A new polymorphic form of the title compound, C(12)H(10)O(4), is described in the orthorhombic space group Pbca and Z = 8, as compared to polymorph I, which crystallizes in the monoclinic space group C2/c and Z = 8 [Li et al. (2012). Chin. J. Struct. Chem. 31, 1003–1007.]. In polymorph II, the coumarin ring system is almost planar (r.m.s. deviation = 0.00129 Å). In the crystal, molecules are connected by Csp (3)—H⋯O and C(ar)—H⋯O hydrogen bonds, forming molecular sheets linked into zigzag shaped layers along the b-axis direction. The three-dimensional lattice is assembled through stacking of the zigzag layers by π–π interactions with a centroid-to-centroid distance of 3.600 (9) Å and antiparallel C=O⋯C=O interactions with a distance of 3.1986 (17) Å, which give rise to a helical supramolecular architecture. International Union of Crystallography 2019-11-15 /pmc/articles/PMC6895931/ /pubmed/31871747 http://dx.doi.org/10.1107/S2056989019015159 Text en © Gonzalez-Carrillo et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Gonzalez-Carrillo, Gabino Muñiz-Valencia, Roberto García-Báez, Efren V. Martínez-Martínez, Francisco J. Crystal structure of a new polymorph of 3-acetyl-8-methoxy-2H-chromen-2-one |
title | Crystal structure of a new polymorph of 3-acetyl-8-methoxy-2H-chromen-2-one |
title_full | Crystal structure of a new polymorph of 3-acetyl-8-methoxy-2H-chromen-2-one |
title_fullStr | Crystal structure of a new polymorph of 3-acetyl-8-methoxy-2H-chromen-2-one |
title_full_unstemmed | Crystal structure of a new polymorph of 3-acetyl-8-methoxy-2H-chromen-2-one |
title_short | Crystal structure of a new polymorph of 3-acetyl-8-methoxy-2H-chromen-2-one |
title_sort | crystal structure of a new polymorph of 3-acetyl-8-methoxy-2h-chromen-2-one |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895931/ https://www.ncbi.nlm.nih.gov/pubmed/31871747 http://dx.doi.org/10.1107/S2056989019015159 |
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