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Crystal structures of baclofen analogs: 3-thienyl- and 3-furylaminobutyric acids
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Crystal structures of baclofen analogs: 3-thienyl- and 3-furylaminobutyric acids
作者:
BernardPirard,
GuyEvrard,
BernadetteNorberg,
PascalBerthelot,
ClaudeVaccher,
MichelDebaert,
DanielP.Vercauteren,
FrançoisDurant,
期刊:
Journal of Crystallographic and Spectroscopic Research
(Springer Available online 2005)
卷期:
Volume 23,
issue 11
页码: 843-848
ISSN:0277-8068
年代: 2005
DOI:10.1007/BF01195730
出版商: Springer_US-Boston
数据来源: Springer
摘要:
X-ray crystal structures of 4-amino-3-(2-thienyl) butyric acid (compound1), 4-amino-3-(4-bromo-2-thienyl) butyric acid (compound2), and 4-amino-3-(5-methyl-2-furyl) butyric acid (compound3) are reported. Space groups and unit/cell parameters are: compound1, monoclinic,P21c,a=13.288(3),b=5.231(1),c=12.388(2)Å,β=92.3(1)°; compound2, monoclinic,P21/c,a=12.610(7),b=5.156(1),c=15.814(8)Å,β=101.8(1)°; compound3, orthorhombic, Pccn,a=11.461(1),b=25.284(2),c=6.977(1)Å. FinalRindices are: compound1, 0.057; compound2, 0.069; compound3, 0.060. Conformations of their γ-aminobutyric chains are compared with the one of γ-amino-β-(p-chlorophenyl)-butyric acid (baclofen, compound4). Two different types of conformations are observed, i.e., conformations (i) with folding (compound3) or (ii) without folding (compounds1,2, and4) of the ammonium group toward the heteroaromatic or aromatic ring. However, distances between ionized groups are
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