Crown ether-dinitrile interaction: An X-ray study

Formation of the host-guest compounds between isomers of dicyclohexano-18-c rown-6 as hosts (DC18C6) and various dinitriles as guests has been observed . The structures of two representative compounds (cis-anti-cis-DC18C6.2(NCC H2CH2CN) (I) and (cis-syn-cis-DC18C6.(NCCH2CH2CH2CN) (II) were obtained usi ng X-ray diffractometry. Crystal data: (I) P (1) over bar, a = 8.586(3), b = 9.324(3), c = 10.714(4) Angstrom, alpha = 72.47(3)degrees, beta = 73.57(3 )degrees, gamma = 72.37(3), R-1 = 0.034, GooF 1.08, Z = 1; (II) Pbca, a = 1 2.881(5), b = 17.887(8), c = 23.042(13) Angstrom, R-1 = 0.049, GooF 1.02, Z = 8. Both structures show weak C-H ... O interactions between alpha-methyl ene protons of dinitrile guest molecules and oxygen atoms of the macrocycli c host ring.