Carboracycles: Macrocyclic Compounds Composed of Carborane Icosahedra Linked by Organic Bridging Groups

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Abstract
A family of macrocyclic compounds are described, together with their precursors. These cycles are composed of icosahedral carboranes linked via their carbon vertices through 1,3-trimethylene, α,α‘-1,3-xylylene, or α,α‘-2,6-lutidylene groups. The compounds cyclo-(1,3-trimethylene-1‘,2‘-closo-1‘,2‘-C2B10H10)4 (6a), cyclo-(1,3-trimethylene-1‘,2‘-closo-9‘,12‘-dimethyl-1‘,2‘-C2B10H8)4 (6b), cyclo-(1,3-trimethylene-1‘,2‘-closo-1‘,2‘-C2B10H10)3 (9), cyclo-(α,α‘-1,3-xylylene-1‘,2‘-closo-1‘,2‘-C2B10H10)2 (11a), cyclo-(α,α‘-1,3-xylylene-1‘,7‘-closo-1‘,7‘-C2B10H10)2 (11b), cyclo-(α,α‘-1,3-xylylene-1‘,7‘-closo-9‘,10‘-dimethyl-1,7-C2B10H8)2 (11c), cyclo-(α,α‘-1,3-xylylene-1‘,2‘-closo-1‘,2‘-C2B10H10)4 (12), cyclo-(α,α‘-1,3-xylylene-1‘,7‘-closo-1‘,7‘-C2B10H10)3 (13), cyclo-(α,α‘-2,6-lutidylene-1‘,7‘-closo-1‘,7‘-C2B10H10)2 (19), and cyclo-(α,α‘-2,6-lutidylene N-oxide−1‘,7‘-closo-1‘,7‘-C2B10H10)2 (20) have been synthesized. The structures of 6a, 6b, 9, 11a, 11b, 11c, 12, and 19 have been determined by X-ray crystallography. Crystal data: for 6a, triclinic, space group P1̄, a = 11.131(2) Å, b = 12.642(2) Å, c = 12.996(2) Å, α = 84.383(6)°, β = 65.884(6)°, γ = 97.292(5)°, Z = 1, R = 0.079; for 6b, monoclinic, space group P21/a, a = 13.500(2) Å, b = 31.141(3) Å, c = 13.831(2) Å, β = 99.90(1)°, Z = 2, R = 0.097; for 11a, monoclinic, space group C2/c, a = 14.5682(8) Å, b = 14.5046(8) Å, c = 16.1998(8) Å, β = 95.631(2)°, Z = 4, R = 0.081; for 11b, monoclinic, space group P21/n, a = 11.650(2) Å, b = 10.606(2) Å, c = 11.730(2) Å, β = 104.951(6)°, Z = 2, R = 0.069; for 11c, orthorhombic, space group Pbca, a = 12.532(2) Å, b = 14.271(2) Å, c = 18.143(3) Å, Z = 4, R = 0.076; for 19, orthorhombic, space group Pcab (No. 61, standard setting Pbca), a = 11.0428(6) Å, b = 11.3785(6) Å, c = 22.533(1) Å, Z = 4, R = 0.074.

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