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

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

Research output: Contribution to journalArticle

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.
LanguageEnglish
Pageso135
Number of pages11
JournalActa Crystallographica Section E: Structure Reports
Volume66
Issue numberPt 1
DOIs
Publication statusPublished - 2010

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Amides
amides
Molecular structure
Hydrogen bonds
Atoms
molecular structure
hydrogen bonds
atoms
isoquinoline
acetamide
Direction compound

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

Cite this

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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.",
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2,2,2-Trifluoro-N-(isoquinolin-5-ylmethyl)acetamide. / Kennedy, Alan; Khalaf, Abedawn I.; Suckling, Colin J.

In: Acta Crystallographica Section E: Structure Reports, Vol. 66, No. Pt 1, 2010, p. o135.

Research output: Contribution to journalArticle

TY - JOUR

T1 - 2,2,2-Trifluoro-N-(isoquinolin-5-ylmethyl)acetamide

AU - Kennedy, Alan

AU - Khalaf, Abedawn I.

AU - Suckling, Colin J.

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PY - 2010

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KW - disorder in main residue

KW - R factor = 0.051

KW - wR factor = 0.133

KW - data-to-parameter = 10.8

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