Title of article
Crystal structure of bergapten: a photomutagenic and photobiologically active furanocoumarin
Author/Authors
Bauri, A. K. Bio-Organic Division - Bhabha Atomic Research Centre, Trombay, India , Forob, Sabine Institute of Materials Science - Darmstadt University of Technology, A Germany , Nhu Doc, Quynh Nguyen Accident & Emergency Department, Franco, Vietnamese Hospital, Vietnam
Pages
7
From page
1
To page
7
Abstract
The title compound, C12H8O4, 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].
Keywords
crystal structure , psoralen , T. stictocarpum , bergapten , bergapten , photobiological activity , furanocoumarin
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2016
Record number
2618565
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