N -[3a-(4-Bromophenyl)-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3,3a,8b-tetrahydro-1 H -cyclopenta[ b ]benzofuran-1-yl]formamide monohydrate
Abstract
In the title compound, C26H24BrNO5·H2O, a synthetic analogue of natural flavagline, the cyclopentane ring adopts an envelope conformation (the flap atom bearing the phenyl group) and the vicinal phenyl and bromophenyl groups are slightly shifted relative to each other [CPh—C—C—CPhBr = 36.3 (2)°]. Intramolecular N—H⋯O and C—H⋯O hydrogen bonds form S(5) motifs. In the crystal, the organic and the water molecules are linked by an O—H⋯O hydrogen bond. Pairs of organic and water molecules, located about inversion centers, interact through O—H⋯O hydrogen bonds, forming R 4 4(20) and R 4 4(26) motifs, which together lead to C 2 2(9) motifs. The crystal packing is also characterized by N—H⋯O and C—H⋯O hydrogen bonds between neighbouring organic molecules, forming R 2 2(10) and R 2 2(18) motifs, respectively.