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Crystal structure of 4-amino-3-(2-benzothiophen) butyric acid, a baclofen analogue

✍ Scribed by B. Pirard; G. Evrard; B. Norberg; P. Berthelot; C. Vaccher; M. Debaert; F. Durant

Publisher
Wiley (John Wiley & Sons)
Year
2010
Weight
184 KB
Volume
102
Category
Article
ISSN
0037-9646

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✦ Synopsis

Abstract

The crystal structure of 4‐amino‐3‐(2‐benzothiophen) butyric acid is reported and compared with that of 4. amino‐3‐(2‐thiΓ©nyl) butyric acid. For both molecules, the γ‐aminobutyric acid (GAB) chains show almost identical conformations. C~12~H~13~NO~2~S, Mw = 235.0, P2'~1~/c, a = 17.857(2), b = 5.183(1), c = 12.587(1) Γ…, Ξ² = 100.07(1)Β°, V = 1147.1 Γ…^3^, Z = 4, D~c~ = 1.363 gcm^βˆ’3^, Ξ» Cu K Ξ± = 1.54178 Γ…, ΞΌ = 22.61 cm^βˆ’1^, F(000) = 496.0, T = 293 Β°K, R = 0.075 for 1103 observed reflections (I β‰₯ 2 Οƒ(I)).

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