Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 10 (October 2013)


organic compounds



yf3045 scheme

Acta Cryst. (2013). C69, 1152-1156    [ doi:10.1107/S0108270113020891 ]

2-Amino-5-iodopyridinium bromide hemihydrate and 2-amino-5-iodopyridinium chloride monohydrate

M. Polson, M. M. Turnbull and J. L. Wikaira

Abstract: The hydrobromide and hydrochloride salts of 2-amino-5-iodopyridine were prepared from aqueous solutions. The hydrobromide salt, C5H6IN2+·Br-·0.5H2O, crystallizes as a hemihydrate, and exhibits hydrogen bonding and [pi]-stacking which stabilize the crystal structure. The hydrochloride salt, C5H6IN2+·Cl-·H2O·0.375HCl, crystallized as the hydrate and exhibits similar hydrogen bonding and [pi]-stacking in the lattice. The most interesting feature of the hydrochloride salt is the presence of an additional fractional HCl molecule which introduces disorder in the location of the water molecule. The additional proton from the fractional HCl molecule is accounted for by the presence of a partial hydronium ion on one of the water sites.

Formula: C5H6IN2+·Br-·0.5H2O and C5H6IN2+·Cl-·H2O·0.375HCl

Keywords: crystal structure; 2-amino-5-iodopyridinium salts; hydrogen bonding; partial occupancy.


hkldisplay filedownload file

Structure factor file (CIF format) (184.2 kbytes)
[ doi:10.1107/S0108270113020891/yf30451sup2.hkl ]
Contains datablock 1


hkldisplay filedownload file

Structure factor file (CIF format) (94.0 kbytes)
[ doi:10.1107/S0108270113020891/yf30452sup3.hkl ]
Contains datablock 2


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