Crystal structure and Hirshfeld surface analysis of N-(tert-butyl)-2-(phenylethynyl)imidazo[1,2-a]pyridin-3-amine

Abstract

The bicyclic imidazo[1,2-a]pyridine core of the title compound, C19H19N3, is relatively planar with an r.m.s. deviation of 0.040 Å. The phenyl ring is inclined to the mean plane of the imidazo[1,2-a]pyridine unit by 18.2 (1)°. In the crystal, molecules are linked by N—H...H hydrogen bonds, forming chains along the c-axis direction. The chains are linked by C—H...π interactions, forming slabs parallel to the ac plane. The Hirshfeld surface analysis and fingerprint plots reveal that the crystal structure is dominated by H...H (54%) and C...H/H...C (35.6%) contacts. The crystal studied was refined as an inversion twin

Keywords

• crystal structure
• alkyne
• imidazo[1,2-a]pyridin
• hydrogen bonding
• C—H...π(ring) interaction
• Hirshfeld surface