Acta Crystallographica Section E: Crystallographic Communications (Jun 2019)

Crystal structure and Hirshfeld surface analysis of N-(5-iodo-4-phenylthiazol-2-yl)acetamide

  • Angel D. Herrera-España,
  • Jesús Aguilera-González,
  • Gonzalo J. Mena-Rejón,
  • Simón Hernández-Ortega,
  • David Cáceres-Castillo

DOI
https://doi.org/10.1107/S2056989019004791
Journal volume & issue
Vol. 75, no. 6
pp. 717 – 720

Abstract

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Two crystallographically independent molecules (A and B) are present in the asymmetric unit of the title compound, C11H9IN2OS, which differ mainly in the dihedral angle between the phenyl and thiazole rings [38.94 (16) and 32.12 (15)°, respectively]. In the crystal, the molecules form ...A...B...A...B... chains along the [001] and [010] directions through moderate N—H...O hydrogen bonds and C—H...π interactions, respectively. The overall three-dimensional network is formed by I...I and I...S interactions. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H...C/C...H (26.2%), H...H (20.9%), H...I/I...H (19.4%) and H...O/O...H (6.8%) interactions.

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