期刊论文详细信息
Acta Crystallographica Section E: Crystallographic Communications | |
Crystal structure of bergapten: a photomutagenic and photobiologically active furanocoumarin | |
Nhu Do, Q.N.1  Bauri, A.K.2  Foro, S.3  | |
[1] Accident & Emergency Department, Franco, Vietnamese Hospital, 7-Nguyen, Luong Bang Street, HoChiMinh City, Vietnam;Bio-Organic Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085, India;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; [PI]-[PI] INTERACTIONS; | |
DOI : 10.1107/S2056989016011221 | |
学科分类:数学(综合) | |
来源: International Union of Crystallography | |
【 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】
CC BY
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