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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...

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Autores principales: Gonzalez-Carrillo, Gabino, Muñiz-Valencia, Roberto, García-Báez, Efren V., Martínez-Martínez, Francisco J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
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.
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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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