Acta Crystallographica Section E: Crystallographic Communications | |
Crystal structure of a photobiologically active furanocoumarin from Artemisia reticulata | |
Nguyen Do, N.Q.1  Bauri, A.K.2  Foro, S.3  | |
[1] Accident & Emergency Department, Franco, Vietnamese Hospital, 7-Nguyen, Luong Bang Street, HoChiMinh City, Vietnam;Bioorganic Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085, India;Clemens Schöpf-Institut für Organische Chemie und Biochemie, Technische Universität Darmstadt, Petersenstrasse 22, D-64287 Darmstadt, Germany | |
关键词: CRYSTAL STRUCTURE; FURANOCOUMARIN; OROSELONE; ARTEMISIA RETICULATA; PHOTOBIOLOGICAL PROPERTY; HYDROGEN BONDING; | |
DOI : 10.1107/S2056989016003303 | |
学科分类:数学(综合) | |
来源: International Union of Crystallography | |
【 摘 要 】
The title furanocoumarin, C14H12O4 [systematic name: 9-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one], crystallizes with two independent molecules (A and B) in the asymmetric unit. The two molecules differ essentially in the orientation of the propenyl group with respect to the mean plane of the furanocoumarin moiety; the O—C(H)—C=C torsion angle is 122.2 (7)° in molecule A and −10.8 (11)° in molecule B. In the crystal, the A and B molecules are linked via O—H⋯O hydrogen bonds, forming zigzag –A–B–A–B– chains propagating along [001]. The chains are reinforced by bifurcated C—H⋯(O,O) hydrogen bonds, forming ribbons which are linked via C—H⋯π and π–π interactions [intercentroid distance = 3.602 (2) Å], forming a three-dimensional structure.
【 授权许可】
CC BY
【 预 览 】
Files | Size | Format | View |
---|---|---|---|
RO201902180175183ZK.pdf | 831KB | download |