13 C CP MAS NMR, FTIR, X-ray diffraction and PM3 studies of some N-(ω-carboxyalkyl) morpholine hydrohalides

Z Dega-Szafran, I Gąszczyk, D Maciejewska…

Index: Dega-Szafran; Gaszczyk; Maciejewska; Szafran; Tykarska; Wawer Journal of Molecular Structure, 2001 , vol. 560, # 1-3 p. 261 - 273

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Citation Number: 12

Abstract

N-(ω-carboxyalkyl) morpholine hydrochlorides, OC4H8N (CH2) nCOOH· HCl, n= 1–5, were obtained and analyzed by 13C cross polarization (CP) magic angle spinning (MAS) NMR, FTIR and PM3 calculations. The structure of N-(3-carboxypropyl) morpholine hydrochloride (n= 3) has been solved by X-ray diffraction method at 100K and refined to the R= 0.031. The crystals are monoclinic, space group P21/c, a= 14.307 (3), b= 9.879 (2), c= 7.166 (1) A ̊, ...