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
Full Text URL :
Record number :
2618565
Link To Document :
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