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Título: | Supramolecular hydrogen-bonding networks in the 1-(diaminomethylenene)thiouron-1-ium 4-hydroxybenzoate, 3,4-dihydroxybenzoate and 3,4,5-trihydroxybenzoate monohydrate crystals. |
Autor(es): | Perpétuo, Genivaldo Julio Janczak, Jan |
Palavras-chave: | Crystal structure Vibrational spectra |
Data do documento: | 2013 |
Referência: | 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. |
Resumo: | 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 |
DOI: | https://doi.org/10.1016/j.molstruc.2013.03.015 |
ISSN: | 0022-2860 |
Licença: | O periódico Journal of Molecular Structure concede permissão para depósito do artigo no Repositório Institucional da UFOP. Número da licença: 3564810172999. |
Aparece nas coleções: | DEFIS - Artigos publicados em periódicos |
Arquivos associados a este item:
Arquivo | Descrição | Tamanho | Formato | |
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ARTIGO_SupramolecularHydrogen-Bonding.pdf | 4,08 MB | Adobe PDF | Visualizar/Abrir |
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