G. Swamy, K. Ravikumar, P. Narender
Aug 1, 2006
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Journal
Molecular Crystals and Liquid Crystals
Abstract
The structure of 2-[(2-chloro-5-methyl-3-pyridinyl)(hydroxy)methyl]-2-cyclohexene-1-one, C13H14NO2Cl, was determined: F.W. = 251.7, triclinic, P-1, a = 8.0511(6), b = 8.0820(6), c = 10.9894(8) ˚A; α = 103.02(1)°, β = 97.24(1)°, γ = 114.04(1)°; V = 616.9(8) ˚A3, Z = 2, λ = 0.71073 ˚A, μ(MoKα) 0.299 mm−1, F000 = 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–H…O and C–H…O intermolecular interactions. In addition, the structure is further stabilized by C–H…Π interactions.