Dibenzyl sulfide at 150 K

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Dibenzyl sulfide at 150 K. / Hansson, Christian.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 62, No. 6, 2006, p. O2377-O2379.

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Hansson, Christian. / Dibenzyl sulfide at 150 K. In: Acta Crystallographica Section E: Structure Reports Online. 2006 ; Vol. 62, No. 6. pp. O2377-O2379.

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TY - JOUR

T1 - Dibenzyl sulfide at 150 K

AU - Hansson, Christian

N1 - 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)

PY - 2006

Y1 - 2006

N2 - 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.

AB - 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.

U2 - 10.1107/S1600536806017491

DO - 10.1107/S1600536806017491

M3 - Article

VL - 62

SP - O2377-O2379

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

SN - 1600-5368

IS - 6

ER -