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Crystal structure and Hirshfeld surface analysis of (E)-N-(4-propyl-oxybenzyl-idene)benzo[d]thia-zol-2-amine.

Ropak A Sheakh MohamadWali M HamadHashim J AzizNecmi Dege
Published in: Acta crystallographica. Section E, Crystallographic communications (2020)
The title compound, C17H16N2OS, was synthesized by a condensation reaction between 2-amino benzo-thia-zole and 4-N-propoxybenzaldehyde. The benzo[d]thia-zole ring system is nearly planar (r.m.s. deviation 0.0088 Å) and makes a dihedral angle of 3.804 (12)° with the phenyl ring. The configuration about the C=N double bond is E. In the crystal structure, pairs of C-H⋯N hydrogen bonds and C-H⋯π inter-actions link the mol-ecules into inversion dimers with an R 2 2(16) ring motif. These dimers are additionally linked by weak π-π stacking inter-actions between the phenyl rings, leading to a layered arrangement parallel to (010). Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the packing arrangement are from H⋯H (47.9%) and C⋯H/H⋯C (25.6%) inter-actions.
Keyphrases
  • crystal structure
  • high resolution
  • transition metal
  • magnetic resonance imaging
  • computed tomography
  • mass spectrometry
  • contrast enhanced