Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of methyl 4-[3,6-bis(pyridin-2-yl)pyridazin-4-yl]benzoate

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of methyl 4-[3,6-bis(pyridin-2-yl)pyridazin-4-yl]benzoate

The title compound, C22H16N4O2, contains two pyridine rings and one methoxycarbonylphenyl group attached to a pyridazine ring which deviates very slightly from planarity. In the crystal, ribbons consisting of inversion-related chains of molecules extending along the a-axis direction are formed by C—...

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Bibliographic Details
Main Authors: Mouad Filali, Lhoussaine El Ghayati, Tuncer Hökelek, Joel T. Mague, Abdessalam Ben-Tama, El Mestafa El Hadrami, Nada Kheira Sebbar
Format: Article
Language:English
Published: International Union of Crystallography 2019-11-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
pyridazine
pyridine
hydrogen bond
c—h...π(ring) interaction
hirshfeld surface
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989019013732

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http://scripts.iucr.org/cgi-bin/paper?S2056989019013732

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