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Two novel compounds,3,8-dibromo-2-methoxyl-7-isopropoxyisoflavanone (1) and 3,6-dibromo-2-methoxyl-7-isopropoxyisoflavanone (2),are synthesized via bromination reaction of their precursor ipriflavone in methanol.The mixture of 1 and 2 co-crystallizes in ethanol and forms two different crystal shapes,the shape of 1 being block and 2 prism,they can be separated manually.1 and 2 are characterized by IR,1H NMR and single crystal X-ray diffraction.The mechanism of bromination reaction is also discussed.1 crystallizes in the monoclinic space group P 21/n with cell parameters a = 1.3569(3) nm,b = 0.6706(2) nm,c = 2.0704(4) nm,?= 97.50(2)°,V = 1.8678(6) nm3,Z = 4,Dc = 1.672 Mg/m3,R = 0.0455,wR = 0.0779,F(000) = 936.2 crystallizes in the monoclinic space group P 21/c with cell parameters a =1.3854(17) nm,b = 1.1215(14) nm,c = 1.3038(17) nm,? = 103.71(2)°,V = 1.968(4) nm3,Z = 4,Dc = 1.587 Mg/m3,R = 0.0306,wR = 0.0619,F(000) = 936.The Br…p interactions,hydrogen bonds,aromatic hy-drogen bonds and aromatic stacking interactions exist in the crystal structures of 1 and 2,which lead them into supramolecular compounds with a three-dimensional network structure,respec-tively.1 and 2 are the isoflavanone derivatives halogenated at C3 and this kind of isoflavanone halides has not been reported yet.
Two novel compounds, 3,8-dibromo-2-methoxyl-7-isopropoxyisoflavanone (1) and 3,6-dibromo-2-methoxyl-7-isopropoxyisoflavanone (2), were synthesized via bromination reaction of their precursor ipriflavone in methanol. The mixture of 1 and 2 co-crystallizes in ethanol and forms two different crystal shapes, the shape of 1 being block and 2 prism, they can be separated manually.1 and 2 are characterized by IR, 1H NMR and single crystal X-ray diffraction. The mechanism of bromination reaction is also discussed. 1 crystallizes in the monoclinic space group P 21 / n with cell parameters a = 1.3569 (3) nm, b = 0.6706 (2) nm, c = 2.0704 (4) nm = 97.50 (2) °, V = 1.8678 (6) nm3, Z = 4, Dc = 1.672 Mg / m3, R = 0.0455, wR = 0.0779, F (000) = 936.2 crystallizes in the monoclinic space group P 21 / c with cell parameters a = 1.3854 (17) nm and b = 1.1215 (14) nm, c = 1.3038 (17) nm ,? = 103.71 (2) °, V = 1.968 (4) nm3, Z = 4 and Dc = 1.587 Mg / m3, R = 0.0306, wR = 0.0619, F (000) = 936.The Br ... p interactions, hydrogen bonds, aromatic hy-drogen bonds and around stacking interactions exist in the crystal structures of 1 and 2, which lead them into supramolecular compounds with a three-dimensional network structure, respec-tively.1 and 2 are the isoflavanone derivatives halogenated at C3 and this kind of isoflavanone halides has not been reported yet.