Acta Crystallographica Section C

Crystal Structure Communications

Volume 64, Part 6 (June 2008)

organic compounds

ga3088 scheme

Acta Cryst. (2008). C64, o330-o334 [ doi:10.1107/S0108270108013504 ]

Hydrogen-bonded networks in crystals of 1-(diaminomethylene)thiouron-1-ium perchlorate, hydrogen sulfate, dihydrogen phosphate and dihydrogen arsenate

J. Janczak and G. J. Perpétuo

Abstract: Crystals of the title compounds, namely 1-(diaminomethylene)thiouron-1-ium perchlorate, C₂H₇N₄S⁺·ClO₄^-, 1-(diaminomethylene)thiouron-1-ium hydrogen sulfate, C₂H₇N₄S⁺·HSO₄^-, 1-(diaminomethylene)thiouron-1-ium dihydrogen phosphate, C₂H₇N₄S⁺·H₂PO₄^-, and its isomorphic relative 1-(diaminomethylene)thiouron-1-ium dihydrogen arsenate, C₂H₇N₄S⁺·H₂AsO₄^-, are built up from a nonplanar 1-(diaminomethylene)thiouron-1-ium cation and the respective anion linked together via N-HO hydrogen bonds. Both arms of the cation are planar, but they are twisted with respect to one another around the central N atom. Ionic and extensive hydrogen-bonding interactions join oppositely charged units into layers in the perchlorate, double layers in the hydrogen sulfate, and a three-dimensional network in the dihydrogen phosphate and dihydrogen arsenate salts. This work demonstrates the usefulness of 1-(diaminomethylene)thiourea in crystal engineering for the formation of supramolecular networks with acids.

Formula: ClO₄^-, HSO₄^-, H₂PO₄^- and H₂AsO₄^- salts of C₂H₇N₄S⁺


	Structure factor file (CIF format) (103.7 kbytes) [ doi:10.1107/S0108270108013504/ga3088Iasup2.hkl ] Contains datablock Ia

	Structure factor file (CIF format) (94.3 kbytes) [ doi:10.1107/S0108270108013504/ga3088Ibsup3.hkl ] Contains datablock Ib

	Structure factor file (CIF format) (101.6 kbytes) [ doi:10.1107/S0108270108013504/ga3088Icsup4.hkl ] Contains datablock Ic

	Structure factor file (CIF format) (105.6 kbytes) [ doi:10.1107/S0108270108013504/ga3088Idsup5.hkl ] Contains datablock Id

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