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Crystal structure of bergapten: a photomutagenic and photobiologically active furanocoumarin
The title compound, C(12)H(8)O(4), is a furanocoumarin [systematic name: 4-methoxy-7H-furo[3,2-g]chromen-7-one], which was isolated from the Indian herb T. stictocarpum. The molecule is almost planar with an r.m.s. deviation of 0.024 Å for the hetero atoms of the fused-ring system. In the crystal...
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/PMC4971871/ https://www.ncbi.nlm.nih.gov/pubmed/27536412 http://dx.doi.org/10.1107/S2056989016011221 |
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author | Bauri, A. K. Foro, Sabine Nhu Do, Quynh Nguyen |
author_facet | Bauri, A. K. Foro, Sabine Nhu Do, Quynh Nguyen |
author_sort | Bauri, A. K. |
collection | PubMed |
description | The title compound, C(12)H(8)O(4), is a furanocoumarin [systematic name: 4-methoxy-7H-furo[3,2-g]chromen-7-one], which was isolated from the Indian herb T. stictocarpum. The molecule is almost planar with an r.m.s. deviation of 0.024 Å for the hetero atoms of the fused-ring system. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming a three-dimensional framework. There are offset π–π interactions present involving the coumarin moieties stacking along the a-axis direction [shortest inter-centroid distance = 3.717 (3) Å]. |
format | Online Article Text |
id | pubmed-4971871 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-49718712016-08-17 Crystal structure of bergapten: a photomutagenic and photobiologically active furanocoumarin Bauri, A. K. Foro, Sabine Nhu Do, Quynh Nguyen Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(12)H(8)O(4), is a furanocoumarin [systematic name: 4-methoxy-7H-furo[3,2-g]chromen-7-one], which was isolated from the Indian herb T. stictocarpum. The molecule is almost planar with an r.m.s. deviation of 0.024 Å for the hetero atoms of the fused-ring system. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming a three-dimensional framework. There are offset π–π interactions present involving the coumarin moieties stacking along the a-axis direction [shortest inter-centroid distance = 3.717 (3) Å]. International Union of Crystallography 2016-07-22 /pmc/articles/PMC4971871/ /pubmed/27536412 http://dx.doi.org/10.1107/S2056989016011221 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 Nhu Do, Quynh Nguyen Crystal structure of bergapten: a photomutagenic and photobiologically active furanocoumarin |
title | Crystal structure of bergapten: a photomutagenic and photobiologically active furanocoumarin |
title_full | Crystal structure of bergapten: a photomutagenic and photobiologically active furanocoumarin |
title_fullStr | Crystal structure of bergapten: a photomutagenic and photobiologically active furanocoumarin |
title_full_unstemmed | Crystal structure of bergapten: a photomutagenic and photobiologically active furanocoumarin |
title_short | Crystal structure of bergapten: a photomutagenic and photobiologically active furanocoumarin |
title_sort | crystal structure of bergapten: a photomutagenic and photobiologically active furanocoumarin |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4971871/ https://www.ncbi.nlm.nih.gov/pubmed/27536412 http://dx.doi.org/10.1107/S2056989016011221 |
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