The crystal and molecular structure of 1,12‐dibromododecane, C₁₂H₂₄Br₂

Abstract

Abstract The α,ω‐dihaloalcanes could serve as model compounds for polyethylenes in further studies of infrared and Raman‐spectra. The 1,12‐dibromododecane, belonging to this class of compounds, has the monoclinic space group P 2 1 /a with the cell parameters a = 24.8 Å, b = 5.40 Å, c = 5.50 Å, β = 99°, Z = 2. The preparation of crystals was very difficult. The crystal finally used gives only few and bad X‐ray data measured by film method (equiinclination Weissenberg). Therefore the accuracy of the structure determination is not high, but the result is reliable and has model character for related compounds. All molecules are ordered with their long molecular axes parallel to the (401) planes of the unit cell. There are alternating plane layers of bromine atoms on the one hand and aliphatic parts of the molecules on the other hand, both parallel to the (100)‐planes. This molecular arrangement explains well the spectroscopic and crystal optical properties of the structure and also of related compounds like 1,10‐dibromodecane and 1,18‐dibromooctadecane.