Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 2-(1-decyl-2-oxoindolin-3-ylidene)propanedinitrile

In the title molecule, C21H25N3O, the 1-decyl substituents are in an extended conformation and intercalate in the crystal packing to form hydrophobic bands. The packing is further organized by π-π-stacking interactions between pyrrole and phenyl rings [centroid-centroid distance = 3.6178 (11) Å] and a C=O⋯π(pyrrole) interaction [3.447 (2) Å]. Hirshfeld surface analysis indicates that the H⋯N/N⋯H interactions make the highest contribution (17.4%) to the crystal packing. © Rayni et al. 2019.