2,2,2-Trifluoro-N-(isoquinolin-5-ylmethyl)acetamide

Alan Kennedy, Abedawn I. Khalaf, Colin J. Suckling

Research output: Contribution to journalArticlepeer-review

Abstract

The molecular structure of the title compound at 123 K, C12H9F3N2O, presents a rotationally disordered CF3 group. Hydrogen bonds between the amide NH group and the N atom of the isoquinoline form a chain in the b-axis direction. The packed structure forms alternate layers of isoquinoline and amide groups parallel to the ab plane.
Original languageEnglish
Pages (from-to)o135
Number of pages11
JournalActa Crystallographica Section E: Structure Reports
Volume66
Issue numberPt 1
DOIs
Publication statusPublished - 2010

Keywords

  • single-crystal X-ray study
  • T = 123 K
  • disorder in main residue
  • R factor = 0.051
  • wR factor = 0.133
  • data-to-parameter = 10.8

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