Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 1 (January 2013)

organic compounds

Acta Cryst. (2013). E69, o52-o53    [ doi:10.1107/S1600536812049641 ]

N-[3a-(4-Bromo­phen­yl)-8b-hy­droxy-6,8-dimeth­oxy-3-phenyl-2,3,3a,8b-tetra­hydro-1H-cyclo­penta­[b]benzofuran-1-yl]formamide monohydrate

E. Aubert, F. Thuaud, N. Ribeiro, L. Désaubry and E. Espinosa

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 R44(20) and R44(26) motifs, which together lead to C22(9) motifs. The crystal packing is also characterized by N-H...O and C-H...O hydrogen bonds between neighbouring organic mol­ecules, forming R22(10) and R22(18) motifs, respectively.

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[ doi:10.1107/S1600536812049641/bx2432Isup3.cml ]
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