title: Crystal structure of bergapten: a photomutagenic and photobiologically active furan-ocoumarin.
abstract: The title compound, C12H8O4, is a furan-ocoumarin [systematic name: 4-meth-oxy-7H-furo[3,2-g]chromen-7-one], which was isolated from the Indian herb T. stictocarpum. The mol-ecule 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, mol-ecules are linked by C-H⋯O hydrogen bonds, forming a three-dimensional framework. There are offset π-π inter-actions present involving the coumarin moieties stacking along the a-axis direction [shortest inter-centroid distance = 3.717 (3) Å].
authors.affiliation: Bio-Organic Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085, India.
authors.forename: A K
authors.initials: AK
authors.lastname: Bauri
authors.affiliation: Institute of Materials Science, Darmstadt University of Technology, Alarich-Weiss-Strasse 2, D-64287 Darmstadt, Germany.
authors.forename: Sabine
authors.initials: S
authors.lastname: Foro
authors.affiliation: Accident & Emergency Department, Franco, Vietnamese Hospital, 7-Nguyen, Luong Bang Street, HoChiMinh City, Vietnam.
authors.forename: Quynh Nguyen
authors.initials: QN
authors.lastname: Nhu Do
keywords: C—H⋯O hydrogen bonds; T. sticto­carpum; bergapten; crystal structure; furan­ocoumarin; photobiological activity; psoralen; π–π inter­actions