Crystal structure of 1-{4-[bis-(4-methyl-phen-yl)amino]-phen-yl}ethene-1,2,2-tricarbo-nitrile.
Acta Crystallogr E Crystallogr Commun
; 80(Pt 3): 339-342, 2024 Mar 01.
Article
en En
| MEDLINE
| ID: mdl-38456047
ABSTRACT
The title compound, C25H18N4, crystallizes in the centrosymmetric ortho-rhom-bic space group Pbca, with eight mol-ecules in the unit cell. The main feature noticeable in the structure is the impact of the tri-cyano-vinyl (TCV) group in forcing partial planarity of the portion of the mol-ecule carrying the TCV group and directing the mol-ecular packing in the solid state, resulting in the formation of π-stacks of dimers within the unit cell. Short π-π stack closest atom-to-atom distances of 3.444â
(15)â
Å are observed. Such motif patterns are favorable as they are thought to be conducive for better charge transport in organic semiconductors, which results in enhanced device performance. Intra-molecular charge transfer is evident from the shortening in the observed experimental bond lengths. The nitro-gen atoms (of the cyano groups) are involved in extensive short contacts, primarily through C-Hâ¯NC inter-actions with distances of 2.637â
(17)â
Å.
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MEDLINE
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En
Revista:
Acta Crystallogr E Crystallogr Commun
Año:
2024
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Article
País de afiliación:
Arabia Saudita
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ENGLAND
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ESCOCIA
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GB
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GREAT BRITAIN
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INGLATERRA
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REINO UNIDO
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UK
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UNITED KINGDOM