Crystal structure, Hirshfeld surface analysis and DFT study of 6-bromo-3-(5-bromohexyl)-2-[4-(dimethylamino)phenyl]-3H-imidazo[4,5-b]pyridine

Crystal structure, Hirshfeld surface analysis and DFT study of 6-bromo-3-(5-bromohexyl)-2-[4-(dimethylamino)phenyl]-3H-imidazo[4,5-b]pyridine

In the title molecule, C20H24Br2N4, the imidazopyridine moiety is not planar as indicated by the dihedral angle of 2.0 (2)° between the constituent rings; the 4-dimethylaminophenyl ring is inclined to the mean plane of the imidazole ring by 27.4 (1)°. In the crystal, two sets of C—H...π(ring) intera...

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Bibliografski detalji
Glavni autori: Zainab Jabri, Nada Kheira Sebbar, Tuncer Hökelek, Joel T. Mague, Safia Sabir, Youssef Kandri Rodi, Khalid Misbahi
Format: Članak
Jezik:English
Izdano: International Union of Crystallography 2020-08-01
Serija:Acta Crystallographica Section E: Crystallographic Communications
Teme:
crystal structure
c—h...π(ring) interaction
imidazopyridine
dft calculation
hirshfeld surface analysis
Online pristup:http://scripts.iucr.org/cgi-bin/paper?S2056989020008889

Internet

http://scripts.iucr.org/cgi-bin/paper?S2056989020008889

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