Abstract
As part of our ongoing study of the structural characteristics of organic-inorganic layered diammonium salts, the crystal structure of ethane-1,2-diammonium dibromide, (I), was determined. A search of the Cambridge Structural Database (Version 5.31, May 2010 release; Allen, 2002) revealed that the crystal structure of (I) had been previously determined 34 years ago (Søtofte, 1976) at room temperature. The information in the CSD CIF file however appears incomplete and the author also states that the contributions from the hydrogen atoms in the structure was ignored. Here we report the redetermined structure of the title compound at 100 K. All the H atom positions were clearly visible in the difference Fourier map and they were independently refined with ADP's constrained to values of 1.2 and 1.5 times the isotropic U values of the C and
N atoms on which they ride. We also show packing arrangements, hydrogen bonding interactions, hydrogen bonding motifs as well as calculated torsion angles (Table 3) that were previously not reported.