Crystal structure of 1-{4-[bis-(4-methyl-phen-yl)amino]-phen-yl}ethene-1,2,2-tricarbo-nitrile.

Acta Crystallogr E Crystallogr Commun

Penn State Scranton, Dunmore, PA, USA.

Published: March 2024

The title compound, CHN, crystallizes in the centrosymmetric ortho-rhom-bic space group , 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 3.444 (15) 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-H⋯NC inter-actions with distances of 2.637 (17) Å.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10915659PMC
http://dx.doi.org/10.1107/S2056989024001804DOI Listing

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