The crystal structure of orthorhombic hexatriacontane, C₃₆H₇₄

Abstract

Single crystals of the orthorhombie form of hexatriacontane C3sH~4 have been shown to have space group Pca21 with unit-cell dimensions a ----7.42,b ----4.96,c ----95.14 /~.The crystal structure has been determined from Fourier syntheses of the electron density projected down the three principal crystallographic axes and from observations of the agreement between observed and calculated structure factors.The molecular chains are regular and periodic within experimental error, with a C-C bond length of 1.533 A and a zigzag bond angle of 112 °.The side-by-side packing of chains is identical with that found in the monoclinie form and in polythene.Intermolecular distances are given and discussed briefly in relation to the polymorphism, the stability and the anisotropic thermal vibrations and expansion coefficients of long chain hydrocarbons.