Felix, Marcela CampanhaPerpétuo, Genivaldo JulioJanczak, Jan2019-06-072019-06-072018FELIX, M. C.; PERPÉTUO, G. J.; JANCZAK, J. Structural and spectroscopic characterization of bis[1- (diaminomethylene)thiouron-1-ium] naphthalene-1,5-disulfonate. Journal of Molecular Structure, v. 1171, p. 411-419, 2018. Disponível em: <https://www.sciencedirect.com/science/article/pii/S0022286018307348>. Acesso em: 19 mar. 2019.0022-2860http://www.repositorio.ufop.br/handle/123456789/11475Single crystals of bis[1-(diaminomethylene)thiouron-1-ium] naphthalene-1,5-disulfonate (1) are grown using growth solution technique. The compound crystallizes in the centrosymmetric C2/c space group of the monoclinic system with four molecules per unit cell. The arrangement of oppositely charged units, i.e. 1-(diaminomethylene)thiouron-1-ium cations and naphthalene-1,5-disulfonate anions in the crystal is mainly determined by the ionic and the NeH/O hydrogen bonding interactions. Hirshfeld surface and the analysis of 2D fingerprint plots are illustrating both qualitatively and quantitatively interactions governing the supramolecular arrangement. The compound was also characterized by FT-IR and Raman spectroscopies. The vibrational assignment of the characteristic bands of the functional groups have been supported by the isotopic frequency shift.en-USrestritoCrystal structureHydrogen bondHirshfeld surfaceVibrational spectroscopyArtigo publicado em periodicohttps://www.sciencedirect.com/science/article/pii/S0022286018307348https://doi.org/10.1016/j.molstruc.2018.06.033