Crystal structure, DFT calculation, Hirshfeld surface analysis and energy framework study of 6-bromo-2-(4-bromo-phen-yl)imidazo[1,2-a]pyridine.

ABSTRACT: The title imidazo[1,2-a] pyridine derivative, C₁₃H₈Br₂N₂, was synthesized via a single-step reaction method. The title mol-ecule is planar, showing a dihedral angle of 0.62 (17)° between the phenyl and the imidazo[1,2-a] pyridine rings. An intra-molecular C-H⋯N hydrogen bond with an S(5) ring motif is present. In the crystal, a short H⋯H contact links adjacent mol-ecules into inversion-related dimers. The dimers are linked in turn by weak C-H⋯π and slipped π-π stacking inter-actions, forming layers parallel to (110). The layers are connected into a three-dimensional network by short Br⋯H contacts. Two-dimensional fingerprint plots and three-dimensional Hirshfeld surface analysis of the inter-molecular contacts reveal t

SUBMITTER: Khamees HA 

PROVIDER: S-EPMC6829731 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature