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Dibenzyl sulfide at 150 K

Hansson, Christian LU (2006) In Acta Crystallographica Section E: Structure Reports Online 62(6). p.2377-2379
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.
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Acta Crystallographica Section E: Structure Reports Online
volume
62
issue
6
pages
2377 - 2379
publisher
Wiley-Blackwell
external identifiers
  • wos:000237998600229
  • scopus:33744993834
ISSN
1600-5368
DOI
10.1107/S1600536806017491
language
English
LU publication?
yes
additional info
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)
id
1c9d7b4e-fe07-4652-aa0c-7b8d2fbff8ab (old id 407511)
date added to LUP
2016-04-01 15:48:05
date last changed
2020-01-12 18:44:47
@article{1c9d7b4e-fe07-4652-aa0c-7b8d2fbff8ab,
  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.},
  author       = {Hansson, Christian},
  issn         = {1600-5368},
  language     = {eng},
  number       = {6},
  pages        = {2377--2379},
  publisher    = {Wiley-Blackwell},
  series       = {Acta Crystallographica Section E: Structure Reports Online},
  title        = {Dibenzyl sulfide at 150 K},
  url          = {http://dx.doi.org/10.1107/S1600536806017491},
  doi          = {10.1107/S1600536806017491},
  volume       = {62},
  year         = {2006},
}