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Kennedy, Alan and Khalaf, Abedawn I. and Suckling, Colin J. (2010) 2,2,2-Trifluoro-N-(isoquinolin-5-ylmethyl)acetamide. Acta Crystallographica Section E: Structure Reports, 66 (Pt 1). o135. ISSN 1600-5368

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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.

Item type: Article
ID code: 27550
Notes: M1 - Copyright (C) 2011 U.S. National Library of Medicine. MEDLINE AN 2011519400(Journal; Article; (JOURNAL ARTICLE))
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, Chemistry, Materials Science(all), Chemistry(all), Condensed Matter Physics
Subjects: Science > Chemistry
Department: Faculty of Science > Pure and Applied Chemistry
Depositing user: Ms Carol Khalaf
Date Deposited: 01 Oct 2010 14:44
Last modified: 09 Jan 2016 04:45
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