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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2016
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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. |
format | Online Article Text |
id | pubmed-4910321 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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
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title_full | Crystal structure of a photobiologically active furanocoumarin from Artemisia reticulata
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title_fullStr | Crystal structure of a photobiologically active furanocoumarin from Artemisia reticulata
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title_full_unstemmed | Crystal structure of a photobiologically active furanocoumarin from Artemisia reticulata
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title_short | Crystal structure of a photobiologically active furanocoumarin from Artemisia reticulata
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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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