Journal of Chemical Crystallography

Supramolecular Interactions in Sodium N-(Ethoxythioxomethyl)-β-Alaninate–Water (4/6) Crystal and Its Application in Synthesis of l-Carnosine

SJ Zhang, F Xu, WJ Yang, WX Hu

Index: Zhang, Shi-Jie; Xu, Feng; Yang, Wei-Ji; Hu, Wei-Xiao Journal of Chemical Crystallography, 2012 , vol. 42, # 12 p. 1182 - 1189

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Abstract

Abstract Compound sodium N-(ethoxythioxomethyl)-β-alaninate (sodium 3- (ethoxycarbonothioyl) propanoate) was synthesized and characterized by IR, 1 H NMR, ESI- HRMS and single crystal X-ray diffraction. Single crystal X-ray diffraction analysis showed that the title compound crystallized in the triclinic space group P− 1 with cell parameters a= 10.142 (2) Å, b= 13.738 (3) Å, c= 15.751 (3) Å, α= 72.937 (2)°, β= 78.694 (2)°, γ= 89.999 (2 ...