Acta Cryst. (2008). C64, o264-o268 [ doi:10.1107/S0108270108008688 ]
Abstract: Crystals of 1-(diaminomethylene)thiouron-1-ium chloride, C2H7N4S+·Cl-, 1-(diaminomethylene)thiouron-1-ium bromide, C2H7N4S+·Br-, and 1-(diaminomethylene)thiouron-1-ium iodide, C2H7N4S+·I-, are built up from the nonplanar 1-(diaminomethylene)thiouron-1-ium cation and the respective halogenide anion. The conformation of the 1-(diaminomethylene)thiouron-1-ium cation in each case is twisted. Both arms of the cation are planar and rotated in opposite directions around the C-N bonds involving the central N atom. The dihedral angles describing the twisted conformation are 22.9 (1), 15.2 (1) and 4.2 (1)° in the chloride, bromide and iodide salts, respectively. Ionic and extensive hydrogen-bonding interactions join oppositely charged units into a supramolecular network. The aim of the investigation is to study the influence of the size of the ionic radii of the Cl-, Br- and I- ions on the dimensionality of the hydrogen-bonding network of the 1-(diaminomethylene)thiouron-1-ium cation. The 1-(diaminomethylene)thiouron-1-ium system should be of use in crystal engineering to form multidimensional networks.
Formula: C2H7N4S+·Cl-, C2H7N4S+·Br- and C2H7N4S+·I-
 |   Structure factor file (CIF format) (80.6 kbytes) |
| Structure factor file (CIF format) (85.5 kbytes) |
| Structure factor file (CIF format) (98.5 kbytes) |
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