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Title: Hydrogen-bonding network in the crystal of bis[1-(diaminomethylene)thiouron-1-ium] oxalate.
Authors: Perpétuo, Genivaldo Julio
Janczak, Jan
Keywords: Crystal structure
Hydrogen bonds
Vibrational spectroscopy
Issue Date: 2012
Citation: PERPÉTUO, G. J.; JANCZAK, J. Hydrogen-bonding network in the crystal of bis[1-(diaminomethylene)thiouron-1-ium] oxalate. Journal of Molecular Structure, v. 1007, p. 74-80, 2012. Disponível em: <>. Acesso em: 19 fev. 2015.
Abstract: The single crystals of bis[1-(diaminomethylene)thiouron-1-ium] oxalate were grown using a solution growth technique. The compound crystallises in the centrosymmetric C2/c space group of the monoclinic system. The conformation of the 1-(diaminomethylene)thiouron-1-ium cation is not strictly planar, but twisted. Both arms of the cation are oppositely rotated by 5.0(1)_ around the C–N bonds involving the central N atom. The centrosymmetric oxalate(2-) anion is planar. The arrangement of oppositely charged components, i.e. 1-(diaminomethylene)thiouron-1-ium cations and oxalate(2-) anions in the crystal is mainly determined by ionic and hydrogen bonding interactions forming three-dimensional network. The compound was also characterised by the FT-IR and Raman spectroscopy. The characteristic bands of the NH2, C=S and COO_ groups as well as of C–N–C, N–C–N and C–COO skeletal groups are discussed.
ISSN: 0022-2860
metadata.dc.rights.license: O periódico Journal of Molecular Structure concede permissão para depósito do artigo no Repositório Institucional da UFOP. Número da licença: 3566050626691.
Appears in Collections:DEFIS - Artigos publicados em periódicos

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