Crystal structure of (E)-N-(4-bromophenyl)-2-cyano-3-[3-(2-methylpropyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide

Abstract

The structure of the title compound, C23H21BrN4O, contains two independent molecules connected by hydrogen bonds of the type Namide—H...N[triple-bond]C to form a dimer. The configuration at the exocyclic C=C double bond is E. The molecules are roughly planar except for the isopropyl groups. There are minor differences in the orientations of these groups and the phenyl rings at N1. The dimers are further linked by ‘weak’ hydrogen bonds, two each of the types Hphenyl...O=C (H...O = 2.50, 2.51 Å) and Hphenyl...Br (H...Br = 2.89, 2.91 Å), to form ribbons parallel to the b and c axes, respectively. The studied crystal was a non-merohedral twin.

Keywords

• pyrazole
• acrylamide
• hydrogen bonds
• twinning
• crystal structure