Dibenzyl sulfide at 150 K

Research output: Contribution to journalArticle

Abstract

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.

Details

Authors
  • Christian Hansson
Organisations
Research areas and keywords

Subject classification (UKÄ) – MANDATORY

  • Organic Chemistry
Original languageEnglish
Pages (from-to)O2377-O2379
JournalActa Crystallographica Section E: Structure Reports Online
Volume62
Issue number6
Publication statusPublished - 2006
Publication categoryResearch
Peer-reviewedYes

Bibliographic note

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)