X-ray Diffraction Studies of Liquid Methylcyclohexane $C_6H_{11}-CH_3$ Structure at 293 K

The structure of methylcyclohexane $C_6H_{11}-CH_3$ at 293 K was investigated using the X-ray diffraction method. An angular distribution of X-ray radiation scattered in liquid methylcyclohexane was measured. The observable range of scattering angles was 6°≤2Θ≤120°. Monochromatic radiation Mo K_αenabled determination of the scattered intensity between $S_\text{min}=0.92 Å^{-1}$ and $S_\text{max}=15.313 Å^{-1}$. The differential radial distribution function of electron density was calculated. The mean structural parameters of liquid methylcyclohexane (inter- and intramolecular distances, radii of coordination spheres, and packing coefficient) were determined and discussed. The most probable binary radial correlation of molecules in liquid methylcyclohexane was proposed. The approach proposed in this paper gives a good description of intermolecular interactions in liquids and is a useful X-ray method for their analysis. The paper presents the structure and molecular correlations in liquid methylcyclohexane determined for the first time by the X-ray diffraction method. The study of methylcyclohexane is a continuation of our studies of cyclohexane derivatives cyclohexylamine and 2-methylcyclohexane. The aim of the study was to establish a relation between the cis and trans isomers and the conformation of the cyclohexane derivatives in the liquid phase.