R. Handa, N. Saha
Mar 15, 1973
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Influential Citations
11
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Journal
Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry
Abstract
Morpholine biguanide hydrobromide (CaHt3NsO. HBr) crystallizes in the triclinic space group PT with lattice parameters a=6"52, b=8"29, c= 10.77 A,; 0c= 108°42 ', fl= 109°28 ', y=97°43 ' and Z=2. The structure has been solved by three-dimensional heavy-atom Fourier syntheses. Hydrogen positions have been located by difference Fourier methods. The structure has been refined by full-matrix least-squares methods, the final R value being 0.088. The morpholine ring has been found to assume a chair conformation. A number of valence-bond structures contribute to the normal state of morpholine biguanide hydrobromide molecule; the contribution of each form has been calculated on the basis of the observed bond lengths. Out of the six available hydrogen atoms in the molecule four take part in the formation of hydrogen bonds of the type N +-H. • • Br-, with values ranging from 3"346 + 0-015 to 3"423 + 0.015 A,. The molecules are held together by a three-dimensional network of such hydrogen bonds.