N-[3a-(4-Bromo-phen-yl)-8b-hy-droxy-6,8-dimeth-oxy-3-phenyl-2,3,3a,8b-tetra-hydro -1H-cyclo-penta-[b]benzofuran-1-yl]formamide monohydrate.
Fiche publication
Date publication
janvier 2013
Auteurs
Membres identifiés du Cancéropôle Est :
Dr DESAUBRY Laurent
Tous les auteurs :
Aubert E, Thuaud F, Ribeiro N, Desaubry L, Espinosa E
Lien Pubmed
Résumé
In the title compound, CHBrNO.HO, a synthetic analogue of natural flavagline, the cyclo-pentane ring adopts an envelope conformation (the flap atom bearing the phenyl group) and the vicinal phenyl and bromo-phenyl groups are slightly shifted relative to each other [C-C-C-C = 36.3 (2) degrees ]. Intra-molecular N-Hcdots, three dots, centeredO and C-Hcdots, three dots, centeredO hydrogen bonds form (5) motifs. In the crystal, the organic and the water mol-ecules are linked by an O-Hcdots, three dots, centeredO hydrogen bond. Pairs of organic and water mol-ecules, located about inversion centers, inter-act through O-Hcdots, three dots, centeredO hydrogen bonds, forming (20) and (26) motifs, which together lead to (9) motifs. The crystal packing is also characterized by N-Hcdots, three dots, centeredO and C-Hcdots, three dots, centeredO hydrogen bonds between neighbouring organic mol-ecules, forming (10) and (18) motifs, respectively.
Référence
Acta Crystallogr Sect E Struct Rep Online. 2013 Jan 1;69(Pt 1):o52-3