화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals, Vol.461, 103-109, 2006
Crystal structure of an adduct: 2,3,5-substituted derivative of pyridine
The structure of 2-[(2-chloro-5-methyl-3-pyridinyl)(hydroxy)methyl]-2-cyclohexene- one, C13H14NO2Cl, was determined: F.W. 251.7, triclinic, P-1, a = 8.0511(6), b = 8.0820(6), c = 10.9894(8) angstrom; alpha = 103.02(1)degrees, beta = 97.24(1)degrees, gamma = 114.04(1)degrees; V = 616.9(8) angstrom(3), Z = 2, lambda = 0.71073 angstrom, mu(MoK alpha) 0.299 mm(-1), F-000 264, and T 273( 2) K. Final R and wR are 0.0479 and 0.1339 respectively. The pyridine ring is planar, and the cyclohexene ring adopts a sofa conformation. The dihedral angle between the pyridine and cyclohexene rings is 89.9( 1). In the crystal lattice, the molecules are packed via O-(HO)-O-... and C-(HO)-O-... intermolecular interactions. In addition, the structure is further stabilized by C-H...II interactions.