Tris(2-pyridyl)methanol

Keene, F. Richard, Snow, Michael R., and Tiekink, Edward R.T. (1988) Tris(2-pyridyl)methanol. Acta Crystallographica. Section C: Crystal structure communications, 44 (5). pp. 937-938.

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Abstract

C₁₆H₁₃N₃0, M(r) = 263·3, monoclinic, P2₁/n, a = 11·034 (1), b = 8· 794 (3), c = 14·007 (2) Å, β = 102·31 (1)°, U= 1328 (2)ų, D(x)= 1·317 Mgm⁻³ for Z = 4, Mo Kα radiation, λ = 0·7107 Å, μ = 0·049 mm⁻¹, F(000) = 552, T = 293 (2) K, R = 0·045 for 1811 observed reflections. Within the molecule the C-C(py) distances lie in the range 1·524 (3)- 1·530 (2) Å and the maximum deviation from ideal tetrahedral geometry is seen in the 0(I)-C(16)-C(II) angle of 106·1 (2)°. The dihedral angles between the N(I)-C(5), N(2)-C(10) and N(3)-C(15) rings are 89·7, 100·8 and 81·5° respectively. The disposition of the N atoms is such that two point in the opposite direction of the alcohol function while the other, N(2), lies on the same side of the molecule as the C-OH group; the 0-H(16)···N(2) separation of 2·19 (3)Å may be indicative of a weak intramolecular interaction between these atoms. In the crystal lattice there is also a close contact between N(2) and the centrosymmetrically related hydroxyl proton of 2·37 (4) Å.

Item ID: 22794
Item Type: Article (Refereed Research - C1)
ISSN: 1600-5759
Date Deposited: 02 Oct 2012 07:26
FoR Codes: 03 CHEMICAL SCIENCES > 0302 Inorganic Chemistry > 030206 Solid State Chemistry @ 100%
SEO Codes: 97 EXPANDING KNOWLEDGE > 970103 Expanding Knowledge in the Chemical Sciences @ 100%
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