The Crystal and Molecular Structure of N-Acetyl-L-cysteine

[摘要] The crystal structure of N-acetyl-L-cysteine, C5H9NO3S, has been determined from three dimensional photographic intensity data (CuK¥á radiation) by single crystal X-ray diffraction analysis. There is one formula unit in the triclinic unit cell with a = 7.04(3), b = 5.14(2), c = 8.25(3) ¡Ê, ¥á = 106(2), ¥â = 51(1), ¥ã = 124(2)¡Æ and space group P1, The structure was solved by the direct method and refined by the full matrix least-squares method. The final R value is 12.3% for 629 observed reflections. The C-carboxyl group and the N-acetyl group are very neary planar. The molecule appears to form with neighboring molecules a hydrogen bond, O(1)-H¡¦O (3) of length 2.59¡Ê.

[学科分类] 化学（综合）