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Title: Hydrogen-bonding network in the crystal of 1-(diaminomethylene)thiouron-1-ium picrate.
Authors: Janzac, Jan
Perpétuo, Genivaldo Julio
Keywords: Crystal structure
Hydrogen bonds
Vibrational spectroscopy
Issue Date: 2010
Citation: JANZAC, J.; PERPÉTUO, G. J. Hydrogen-bonding network in the crystal of 1-(diaminomethylene)thiouron-1-ium picrate. Journal of Molecular Structure, v. 975, p. 166-172, 2010. Disponível em: <>. Acesso em: 19 fev. 2015.
Abstract: The single crystals of 1-(diaminomethylene)thiouron-1-ium picrate 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 almost planar, while the conformation of the picrate(_) anion is non-planar. Both NO2 groups linked in ortho positions in relation to the phenolate oxygen are oppositely turned in relation to the ring plane. Arrangement of the oppositely charged components, i.e. 1-(diaminomethylene)thiouron-1-ium cations and picrate(_) anions in the crystal is mainly determined by ionic and hydrogen bonding interactions forming pseudo-one dimensional chains. The compound was also characterised by the FT-IR and Raman spectroscopy. The characteristic bands of the NH2, NO2, C=S and Car—O groups as well as of 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: 3566050564710.
Appears in Collections:DEFIS - Artigos publicados em periódicos

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