TY - JOUR
T1 - 2,2,2-Trifluoro-N-(isoquinolin-5-ylmethyl)acetamide
AU - Kennedy, Alan
AU - Khalaf, Abedawn I.
AU - Suckling, Colin J.
N1 - M1 - Copyright (C) 2011 U.S. National Library of Medicine.
MEDLINE AN 2011519400(Journal; Article; (JOURNAL ARTICLE))
PY - 2010
Y1 - 2010
N2 - 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.
AB - 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.
KW - single-crystal X-ray study
KW - T = 123 K
KW - disorder in main residue
KW - R factor = 0.051
KW - wR factor = 0.133
KW - data-to-parameter = 10.8
UR - http://www.scopus.com/inward/record.url?scp=74349120469&partnerID=8YFLogxK
UR - http://dx.doi.org/10.1107/S1600536809052994
U2 - :10.1107/S1600536809052994
DO - :10.1107/S1600536809052994
M3 - Article
SN - 1600-5368
VL - 66
SP - o135
JO - Acta Crystallographica Section E: Structure Reports
JF - Acta Crystallographica Section E: Structure Reports
IS - Pt 1
ER -