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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.
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Emmanuel Aubert, Frédéric Thuaud, Nigel Ribeiro, Laurent Désaubry, Enrique Espinosa. 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. Acta Crystallographica Section E : Structure Reports Online [2001-2014], International Union of Crystallography, 2013, 69 (1), pp.o52 - o53. ⟨10.1107/S1600536812049641⟩. ⟨hal-01521958⟩



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