Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 5 (May 2013)

organic compounds

Acta Cryst. (2013). C69, 526-528    [ doi:10.1107/S0108270113007762 ]

Pentane-1,5-diaminium dibromide

C. Arderne

Abstract: The crystal structure of the title salt, C5H16N22+·2Br-, with Z = 12 and more unusually Z' = 3, forms part of a small group of crystal structures in the Cambridge Structural Database that are ammonium bromide salts. One of the diaminium cation chains in the asymmetric unit exhibits positional disorder, which was modelled using a suitable disorder model. This compound also exhibits organic-inorganic layering in its packing arrangement that is typical of this class of compound. An extensive complex three-dimensional hydrogen-bonding network is also identified. The hydrogen bonds evident in this crystal structure were identified as being most likely strong charge-assisted hydrogen bonds.

Formula: C5H16N22+·2Br-

moldisplay filedownload file

MDL mol file (9.2 kbytes)
[ doi:10.1107/S0108270113007762/fn3129Isup3.mol ]
Supplementary material

cmldisplay filedownload file

Chemical Markup Language (CML) file (3.3 kbytes)
[ doi:10.1107/S0108270113007762/fn3129Isup4.cml ]
Supplementary material


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