ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 24, Number 3
JKCSEZ 24(3)
June 20, 1980 

The crystal structure of N-acetyl-L-cysteine, C5H9NO3S, has been determined from three dimensional photographic intensity data (CuKα 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) Å, α = 106(2), β = 51(1), γ = 124(2)° 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 2.59Å.