CRYSTAL AND MOLECULAR STRUCTURE OF 4,4′-BIPYRIDINIUM BIS(TRANS-2-HYDROXYCINNAMATE) BIS(4,4′-BIPYRIDINE)
Y.Y. Zhang, Y. Gio, H.X. Chen, W.J. Xu, Z.M. Jin
Keywords: whole molecule disorder, hydrogen bond, co-crystal, hydroxycinnamate, ortho-coumaric acid, 4,4?-bipyridine.
Pages: 1260-1263
Abstract
4,4′-Bipyridinium bis(trans-2-hydroxycinnamate) bis(4,4′-bipyridine), 0.5(C10H10N2)2+·
·(C9H7O3)-·C10H8N2, crystallizes in triclinic system, space group P-1, with a = 7.4211(8), b = 9.9516(11), c = 13.8587(15) Å, β = 92.510(2), α = 96.772(2), γ = 99.164(2)°, V == 1001.33(19) Å3, ρcalc = 1.321 g/cm3, Z = 2. In the crystal, the whole trans-2-hydroxycinnamate is disordered over two sites with different occupancies. The molecular species are linked by O-H…N and N-H…O hydrogen bonds into five-molecule hydrogen bonded chain associates that are further linked by C-H…O hydrogen bonds into layers with the major orientation of the disordered 2-hydroxycinnamate. However such hydrogen bonds are not observed with the minor orientation.
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