Perpétuo, Genivaldo JulioJanczak, Jan2015-02-232015-02-232013PERPÉTUO. G. J.; JANCZAK, J. Supramolecular hydrogen-bonding networks in the 1-(diaminomethylenene)thiouron-1-ium 4-hydroxybenzoate, 3,4-dihydroxybenzoate and 3,4,5-trihydroxybenzoate monohydrate crystals. Journal of Molecular Structure, v. 1041, p. 127-138, 2013. Disponível em: <http://www.sciencedirect.com/science/article/pii/S0022286013002172>. Acesso em: 19 fev. 2015.0022-2860http://www.repositorio.ufop.br/handle/123456789/4458Three crystals of 1-(diaminomethylene)thiouron-1-ium 4-hydroxybenzoate (1), 1-(diaminomethylene)thiouron-1-ium 3,4-dihydroxybenzoate (2) and 1-(diaminomethylene)thiouron-1-ium 3,4,5-trihydroxybenzoate monohydrate (3) were grown using a solution growth technique. The conformation of the 1-(diaminomethylene)thiouron-1-ium cation in these structures is very similar and exhibits twisting conformation. The planar COO- group of the oppositely charged components of the crystals, i.e. 4-hydroxybenzoate, 3,4-dihydroxybenzoate and 3,4,5-trihydroxybenzoate, are slightly inclined to the benzene ring. Both oppositely charged units, i.e. the 1-(diaminomethylene)thiouron-1-ium cation and respective mono- di- or trihydroxybenzoate anions, interact via R22(8) hydrogen bonding motif forming 1:1 supramolecular complexes. These supramolecular complexes interact each other via N--O or O—H---O hydrogen bonds forming the 3D-hydrogen bonding networks. These compounds were also characterised by the IR-spectroscopy. The characteristic bands of the NH2, OH,C=S, COO- as well as of the skeletal groups are discussed.en-USCrystal structureVibrational spectraArtigo publicado em periodicoO periódico Journal of Molecular Structure concede permissão para depósito do artigo no Repositório Institucional da UFOP. Número da licença: 3564810172999.https://doi.org/10.1016/j.molstruc.2013.03.015