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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...

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Autores principales: Bauri, A. K., Foro, Sabine, Nhu Do, Quynh Nguyen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
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].
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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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