Please use this identifier to cite or link to this item: http://www.repositorio.ufop.br/handle/123456789/4458
Title: Supramolecular hydrogen-bonding networks in the 1-(diaminomethylenene)thiouron-1-ium 4-hydroxybenzoate, 3,4-dihydroxybenzoate and 3,4,5-trihydroxybenzoate monohydrate crystals.
Authors: Perpétuo, Genivaldo Julio
Janczak, Jan
Keywords: Crystal structure
Vibrational spectra
Issue Date: 2013
Citation: PERPÉTUO. 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.
Abstract: Three 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.
URI: http://www.repositorio.ufop.br/handle/123456789/4458
ISSN: 00222860
metadata.dc.rights.license: O Periódico Journal of Molecular Structure concede permissão para depósito do artigo no Repositório Institucional da UFOP. Número da licença: 3564810172999.
Appears in Collections:DEFIS - Artigos publicados em periódicos

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