Ethane-1,2-diammonium dibromide: a redetermination at 100 K

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dc.contributor.author Arderne, Charmaine
dc.contributor.author Kruger, Gert J.
dc.date.accessioned 2012-11-05T14:55:41Z
dc.date.available 2012-11-05T14:55:41Z
dc.date.issued 2010
dc.identifier.citation Arderne, C. & Kruger, G.J. 2010. Ethane-1,2-diammonium dibromide : a redetermination at 100 K. Acta Crystallographica Section E, 66:o2470 en_US
dc.identifier.issn 1600-5368
dc.identifier.uri http://hdl.handle.net/10210/8105
dc.description.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. en_US
dc.language.iso en en_US
dc.publisher International Union of Crystallography en_US
dc.rights © International Union of Crystallography, 2010. Available online at: http://journals.iucr.org/e/. DOI: 10.1107/S1600536810033313 en_US
dc.subject X-ray crystallography en_US
dc.subject Crystallography en_US
dc.subject Diammonium salts en_US
dc.subject Ethane-1,2-diammonium dibromide en_US
dc.subject Hydrogen bonding en_US
dc.title Ethane-1,2-diammonium dibromide: a redetermination at 100 K en_US
dc.type Article en_US

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