Crystal structure of L-2-oxothiazolidine-4-carboxylic acid.
Crystals of the title compound, L-2-oxothiazolidine-4-carboxylic acid, OTC (C4H5NO3S), grown from an aqueous solution are orthorhombic, space group P2(1)2(1)2(1) with the following cell parameters at 22 +/- 3 degrees: a = 5.381(1), b = 5.961(1), c = 17.929(3)A, V = 575.1A(3), Mr = 146.2, Dc = 1.688 g.cm-3, mu = 43.9 cm-1 and Z = 4. The crystal structure was solved by the application of direct methods and refined to an R value of 0.032 for 596 reflections with I greater than 3 sigma(I). The thiazolidine ring adopts a "twist" conformation. This structure contains a short (2.619(3)A) intermolecular hydrogen bond between the carboxyl OH and the oxygen of the 2-oxo moiety, a feature common to most acyl amino acids and acyl peptides.
Ramasubbu
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N
Center for Crystallographic Research, Roswell Park Memorial Institute, Buffalo, NY.
Parthasarathy
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R
D003460:Crystallization; D006860:Hydrogen Bonding; D008958:Models, Molecular; D011761:Pyrrolidonecarboxylic Acid; D012984:Software; D013844:Thiazoles; D053778:Thiazolidines; D014961:X-Ray Diffraction
D013844:Thiazoles; D053778:Thiazolidines; D011761:Pyrrolidonecarboxylic Acid; C029536:2-oxothiazolidine-4-carboxylic acid