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Crystal structure of a photobiologically active furan­ocoumarin from Artemisia reticulata

The title furan­ocoumarin, C(14)H(12)O(4) [systematic name: 9-hy­droxy-2-(prop-1-en-2-yl)-2,3-di­hydro-7H-furo[3,2-g]chromen-7-one], crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. The two mol­ecules differ essentially in the orientation of the propenyl group with resp...

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Detalles Bibliográficos
Autores principales: Bauri, A. K., Foro, Sabine, Nguyen Do, Nhu Quynh
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910321/
https://www.ncbi.nlm.nih.gov/pubmed/27375865
http://dx.doi.org/10.1107/S2056989016003303
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author Bauri, A. K.
Foro, Sabine
Nguyen Do, Nhu Quynh
author_facet Bauri, A. K.
Foro, Sabine
Nguyen Do, Nhu Quynh
author_sort Bauri, A. K.
collection PubMed
description The title furan­ocoumarin, C(14)H(12)O(4) [systematic name: 9-hy­droxy-2-(prop-1-en-2-yl)-2,3-di­hydro-7H-furo[3,2-g]chromen-7-one], crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. The two mol­ecules differ essentially in the orientation of the propenyl group with respect to the mean plane of the furan­ocoumarin moiety; the O—C(H)—C=C torsion angle is 122.2 (7)° in mol­ecule A and −10.8 (11)° in mol­ecule B. In the crystal, the A and B mol­ecules are linked via O—H⋯O hydrogen bonds, forming zigzag –A–B–A–B– chains propagating along [001]. The chains are reinforced by bifurcated C—H⋯(O,O) hydrogen bonds, forming ribbons which are linked via C—H⋯π and π–π inter­actions [inter­centroid distance = 3.602 (2) Å], forming a three-dimensional structure.
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spelling pubmed-49103212016-07-01 Crystal structure of a photobiologically active furan­ocoumarin from Artemisia reticulata Bauri, A. K. Foro, Sabine Nguyen Do, Nhu Quynh Acta Crystallogr E Crystallogr Commun Research Communications The title furan­ocoumarin, C(14)H(12)O(4) [systematic name: 9-hy­droxy-2-(prop-1-en-2-yl)-2,3-di­hydro-7H-furo[3,2-g]chromen-7-one], crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. The two mol­ecules differ essentially in the orientation of the propenyl group with respect to the mean plane of the furan­ocoumarin moiety; the O—C(H)—C=C torsion angle is 122.2 (7)° in mol­ecule A and −10.8 (11)° in mol­ecule B. In the crystal, the A and B mol­ecules are linked via O—H⋯O hydrogen bonds, forming zigzag –A–B–A–B– chains propagating along [001]. The chains are reinforced by bifurcated C—H⋯(O,O) hydrogen bonds, forming ribbons which are linked via C—H⋯π and π–π inter­actions [inter­centroid distance = 3.602 (2) Å], forming a three-dimensional structure. International Union of Crystallography 2016-03-04 /pmc/articles/PMC4910321/ /pubmed/27375865 http://dx.doi.org/10.1107/S2056989016003303 Text en © Bauri et al. 2016 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
Bauri, A. K.
Foro, Sabine
Nguyen Do, Nhu Quynh
Crystal structure of a photobiologically active furan­ocoumarin from Artemisia reticulata
title Crystal structure of a photobiologically active furan­ocoumarin from Artemisia reticulata
title_full Crystal structure of a photobiologically active furan­ocoumarin from Artemisia reticulata
title_fullStr Crystal structure of a photobiologically active furan­ocoumarin from Artemisia reticulata
title_full_unstemmed Crystal structure of a photobiologically active furan­ocoumarin from Artemisia reticulata
title_short Crystal structure of a photobiologically active furan­ocoumarin from Artemisia reticulata
title_sort crystal structure of a photobiologically active furan­ocoumarin from artemisia reticulata
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910321/
https://www.ncbi.nlm.nih.gov/pubmed/27375865
http://dx.doi.org/10.1107/S2056989016003303
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