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

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

The title imidazo[1,2-a] pyridine derivative, C13H8Br2N2, was synthesized via a single-step reaction method. The title molecule is planar, showing a dihedral angle of 0.62 (17)° between the phenyl and the imidazo[1,2-a] pyridine rings. An intramolecular C—H...N hydrogen bond with an S(5) ring motif...

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Bibliographic Details
Main Authors: Hussien Ahmed Khamees, Kumara Chaluvaiah, Nasseem Ahmed El-khatatneh, Ananda Swamynayaka, Kwong Huey Chong, Jagadeesh Prasad Dasappa, Mahendra Madegowda
Format: Article
Language:English
Published: International Union of Crystallography 2019-11-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
imidazole-pyridine derivative
π–π interactions
dft calculation
hirshfeld surface analysis
energy framework
frontier molecular orbitals
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989019013410

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http://scripts.iucr.org/cgi-bin/paper?S2056989019013410

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