2-(1-Methyl-2-oxoindolin-3-ylidene)malononitrile

Abstract

Key indicators: single-crystal X-ray study; T = 293 K; mean (C-C) = 0.004 Å; R factor = 0.057; wR factor = 0.176; data-to-parameter ratio = 13.0.The title molecule, C 12 H 7 N 3 O, is almost planar, with an r.m.s. deviation of 0.026 Å . No directional interactions could be detected in the crystal. Related literature ExperimentalCrystal data

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

“…4 yielded 133 hits of which 34 are close to the title compound in that the substituents on the methyl-idene carbon are relatively small in size. The closest analogues are 2 [R = CH 3 (Wang et al, 2013); (CH 2 ) 5 CH 3 (Rayni et al, 2017b)], 3 (Hu et al, 2014) The title molecule with the labelling scheme and 50% probability ellipsoids.…”