T. Maeda, T. Fujiwara, K. Tomita
Dec 1, 1972
Citations
0
Influential Citations
9
Citations
Journal
Bulletin of the Chemical Society of Japan
Abstract
The crystals of γ-guanidinobutyric acid (GGBA) hydrochloride and hydrobromide, C5H12O2N3Cl and C5H12O2N3Br, are both triclinic, space group P\bar1, with two molecules in a unit cell with the following dimensions; hydrochloride: a=7.41, b=9.12, c=7.25 A, α=101.5°, β=112.4°, γ=65.2°; hydrobromide: a=7.94, b=9.36, c=7.78 A, α=103.2°, β=115.5°, γ=61.5°. The X-ray structure analysis was carried out by the application of heavy atom method and refined by three dimensional least-squares method. Since GGBA hydrochloride and hydrobromide are isomorphous, the structure analysis was started by using of X-ray data of the hydrobromide to determine the rough atomic coordinates of its molecule, and the data of hydrochloride were used for the further refinement. The positions of the involved twelve hydrogen atoms were located by a three dimensional difference Fourier analysis. GGBA cation, +NH2(NH2)CNH(CH2)3COOH, and Cl− ion were almost perfectly on the (20\bar1) plane and formed a pararell sheet structure with six hydrog...