Abstract
| Original language | English |
|---|---|
| Pages (from-to) | o765-o766 |
| Journal | Acta Crystallographica Section E: Structure Reports Online |
| Volume | E64 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - 2008 |
| MoE publication type | A1 Journal article-refereed |
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Keywords
- organic compounds
- nanoelectronics
- optoelectronics
- molecular electronics
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4,4'-[Thiophene-2,5-diylbis(ethyne-2,1-diyl)]dibenzonitrile. / Figueira, João; Vertlib, Viatslav; Rodrigues, João; Nättinen, Kalle; Rissanen, Kari.
In: Acta Crystallographica Section E: Structure Reports Online, Vol. E64, No. 4, 2008, p. o765-o766.Research output: Contribution to journal › Article › Scientific › peer-review
TY - JOUR
T1 - 4,4'-[Thiophene-2,5-diylbis(ethyne-2,1-diyl)]dibenzonitrile
AU - Figueira, João
AU - Vertlib, Viatslav
AU - Rodrigues, João
AU - Nättinen, Kalle
AU - Rissanen, Kari
PY - 2008
Y1 - 2008
N2 - In the solid state, the title compound, C22H10N2S, forms centrosymmetric dimers by pairs of non-classical C-H...S hydrogen bonds linking approximately coplanar molecules. The benzene ring involved in this interaction makes a dihedral angle of only 7.21 (16)° with the thiophene ring, while the other benzene ring is twisted somewhat out of the plane, with a dihedral angle of 39.58 (9)°. The hydrogen-bonded dimers stack on top of each other with an interplanar spacing of 3.44 Å. C-H...N hydrogen bonds link together stacks that run in approximately perpendicular directions. Each molecule thus interacts with 12 adjacent molecules, five of them approaching closer than the sum of the van der Waals radii for the relevant atoms. Optimization of the inter-stack contacts contributes to the non-planarity of the molecule.
AB - In the solid state, the title compound, C22H10N2S, forms centrosymmetric dimers by pairs of non-classical C-H...S hydrogen bonds linking approximately coplanar molecules. The benzene ring involved in this interaction makes a dihedral angle of only 7.21 (16)° with the thiophene ring, while the other benzene ring is twisted somewhat out of the plane, with a dihedral angle of 39.58 (9)°. The hydrogen-bonded dimers stack on top of each other with an interplanar spacing of 3.44 Å. C-H...N hydrogen bonds link together stacks that run in approximately perpendicular directions. Each molecule thus interacts with 12 adjacent molecules, five of them approaching closer than the sum of the van der Waals radii for the relevant atoms. Optimization of the inter-stack contacts contributes to the non-planarity of the molecule.
KW - organic compounds
KW - nanoelectronics
KW - optoelectronics
KW - molecular electronics
U2 - 10.1107/S1600536808008106
DO - 10.1107/S1600536808008106
M3 - Article
VL - E64
SP - o765-o766
JO - Acta Crystallographica Section E: Crystallographic Communications
JF - Acta Crystallographica Section E: Crystallographic Communications
SN - 2056-9890
IS - 4
ER -