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Crystal structures and energy refinement of some 2,2′-disubstituted biphenyl compounds

机译:Crystal structures and energy refinement of some 2,2′-disubstituted biphenyl compounds

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Synthesis and structural determination by X-ray crystallography of three substituted biphenyl structures are reported: (2) is monoclinic P21/n witha=10.805(4),b=8.079(3),c=16.232(6)Å, β=100.96(5)°: (4) is monoclinic P21/n witha=9.966(3),b=10.007(3),c=13.053(4) Å, β=96.74(5)°; (5) is triclinic$$Pbar 1$$witha=12.033(5),b=16.903(8),c=9.752(4)Å, α=94.70(3)°, β=112.56(3)° γ=76.12(3)°. In all compounds the biphenyl has two identical substituents in an ortho position to the center inter-ring bond and present variable inter-ring twist angles. In the process of investigating molecular geometry, we are interested in studying whether the calculated conformations of our molecules can fit the crystallographi

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