期刊论文详细信息
Acta Crystallographica Section E: Crystallographic Communications | 卷:72 |
Crystal structure of bergapten: a photomutagenic and photobiologically active furanocoumarin | |
Quynh Nguyen Nhu Do1  A. K. Bauri2  Sabine Foro3  | |
[1] Accident & Emergency Department, Franco, Vietnamese Hospital, 7-Nguyen, Luong Bang Street, HoChiMinh City, Vietnam; | |
[2] Bio-Organic Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085, India; | |
[3] Institute of Materials Science, Darmstadt University of Technology, Alarich-Weiss-Strasse 2, D-64287 Darmstadt, Germany; | |
关键词: crystal structure; bergapten; T. stictocarpum; psoralen; furanocoumarin; photobiological activity; C—H...O hydrogen bonds; π–π interactions; | |
DOI : 10.1107/S2056989016011221 | |
来源: DOAJ |
【 摘 要 】
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].
【 授权许可】
Unknown