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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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