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Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1'-biphen-yl]-4-yl)-2-oxoeth-yl]-3-methyl-1,4-di-hydro-pyridin-4-iminium bromide

Sheshadri SN 1 , Kwong HC 2 , Chidan Kumar CS 3 , Quah CK 4 , Siddaraju BP 5 , Veeraiah MK 6 Show all authors , Hamid MABA 4 , Warad I 7

Affiliations 

  • 1 Department of Chemistry, GSSS Institute of Engineering & Technology for Women, Mysuru 570 016, Karnataka, India
  • 2 School of Chemical Sciences, Universiti Sains Malaysia, Penang 11800 USM, Malaysia
  • 3 Department of Engineering Chemistry, Vidya Vikas Institute of Engineering & Technology, Visvesvaraya Technological University, Alanahally, Mysuru 570 028, Karnataka, India
  • 4 X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia
  • 5 Department of Chemistry, Cauvery Institute of Technology, Mandya 571 402, Karnataka, India
  • 6 Department of Chemistry, Sri Siddhartha Institute of Technology, Tumkur 572 105, Karnataka, India
  • 7 Department of Chemistry, Science College, An-Najah National University, PO Box 7, Nablus, West Bank, Palestinian Territories
Acta Crystallogr E Crystallogr Commun, 2018 May 01;74(Pt 5):752-756.
PMID: 29850106 DOI: 10.1107/S2056989018006217

Abstract

In the cation of the title salt, C20H19N2O+·Br-, the phenyl rings are inclined to one another by 38.38 (8)°, whereas the central phenyl ring and the pyridiniminium ring are almost perpendicular with a dihedral angle of 87.37 (9)°. The N+=C cationic double bond was verified by the shortened bond length of 1.337 (2) Å. In the crystal, the Br- anion is linked to the cation by an N-H⋯Br hydrogen bond. C-H⋯O hydrogen bonds link adjacent pyridiniminium cations into inversion dimers with an R22(18) graph-set motif. These dimers are stacked in a phen-yl-phenyl T-shaped geometry through C-H⋯π inter-actions. A Hirshfeld surface analysis was conducted to verify the contributions of the different inter-molecular inter-actions.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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