Dibenzyl sulfide at 150 K
Research output: Contribution to journal › Article
The mol-ecule of the title compound, C14H14S, lies on a crystallographic twofold axis running through the central S atom, and hence mol-ecules have exact C-2 mol-ecular symmetry. Density-functional theory calculations reveal that the energy-optimized mol-ecular structure in the gas phase is close to that observed in the crystal structure. The crystal packing is dominated by double chains running along the c axis formed by C-(HS)-S-... inter-actions.
|Research areas and keywords||
Subject classification (UKÄ) – MANDATORY
|Journal||Acta Crystallographica Section E: Structure Reports Online|
|Publication status||Published - 2006|
The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Organic chemistry (S/LTH) (011001240)