Crystal and molecular structure of 4-amino-4-carboxyl thiapyran hydrobromide

Research paper by K. K. Chacko, S. K. Bhattacharjee, R. Zand

Indexed on: 01 Sep '75Published on: 01 Sep '75Published in: Journal of chemical crystallography


4-Amino-4-carboxylthiapyran hydrobromide crystallizes in the monoclinic space groupP21/m, witha= 9.72 Å,b= 6.60 Å andc=7.10 Å,β = 94.8 ° andZ= 2. The structure was solved by the heavy atom method with 786 observed reflections and refined to anR of 0.076. There is an interesting weak interaction which the hetero sulfur atom of the thiapyran ring makes with a symmetry related amino nitrogen (N...S distance 3.34 Å) which significantly affects the “puckered-chair” conformation of the thiapyran ring.