Synthesis and Crystal Structure of 1,3-Trans-1,4-cis- 3,4-di(4-bromophenyl)-1',2',3'-

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The title compound C35H30Br2O3 (C32H24Br2O2?CH3COCH3) has been synthesized by the dimerization of 2-(4’-bromobenzal)-1-indenone induced by low-valent titanium reagent, and characterized by elemental analysis, IR, 1H NMR and X-ray single-crystal diffraction. The crystal belongs to triclinic, space group P1 with a = 10.273(7), b = 11.036(7), c = 13.944(9) ?, α = 73.972(9) , a =76.577(10),γ = 88.871(10)°, V = 1476.3(17) ?3, Mr = 658.41, Z = 2, Dc = 1.481 g/cm3, ì(MoKá) = 2.780 mm–1, F(000) = 668, the final R = 0.0452 and wR = 0.0975. X-ray analysis reveals that the two cyclopentane rings spiro-fused each other adopt envelope conformations, while the other cyclopentane ring (C(1)–C(2)–C(7)~C(9)) is coplanar. In addition, there is a classical intermolecular hydrogen bond O(1)–H(1)???O(2) connecting the adjacent molecules into dimers. The title compound C35H30Br2O3 (C32H24Br2O2- CH3COCH3) has been synthesized by the dimerization of 2- (4’-bromobenzal) -1-indenone induced by low-valent titanium reagent, and characterized by elemental analysis, IR, 1H NMR and X-ray The crystal belongs to triclinic, space group P1 with a = 10.273 (7), b = 11.036 (7), c = 13.944 (9)?,? = 73.972 (9), a = 76.577 (10) , γ = 88.871 (10) °, V = 1476.3 (17)? 3, Mr = 658.41, Z = 2 and Dc = 1.481 g / cm3, MoKá = 2.780 mm- the final R = 0.0452 and wR = 0.0975. X-ray analysis reveals that the two cyclopentane rings spiro-fused each other adopt envelope conformations, while the other cyclopentane ring (C (1) -C (2) -C C (9)) is coplanar. In addition, there is a classical intermolecular hydrogen bond O (1) -H (1) ??? O (2) connecting the adjacent molecules into dimers.
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