Structural and spectroscopic characterisation of bis[1-(diaminomethylene)thiouron-1-ium] fumarate.

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorJanzac, Jan-
Autor(es): dc.creatorPerpétuo, Genivaldo Julio-
Data de aceite: dc.date.accessioned2019-11-06T13:32:13Z-
Data de disponibilização: dc.date.available2019-11-06T13:32:13Z-
Data de envio: dc.date.issued2015-02-23-
Data de envio: dc.date.issued2015-02-23-
Data de envio: dc.date.issued2011-
Fonte completa do material: dc.identifierhttp://www.repositorio.ufop.br/handle/123456789/4459-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/557506-
Descrição: dc.descriptionThe single crystals of bis[1-(diaminomethylene)thiouron-1-ium] fumarate were grown using a solution growth technique. The compound crystallises in the centrosymmetric P21/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 13.8(1)_ around the CAN bonds involving the central N atom. The fumarate(2_) anion is also non-planar, both deprotonated carboxylate groups are oppositely turned in relation to the planar carbon chain. The arrangement of oppositely charged components, i.e. 1-(diaminomethylene)thiouron-1-ium cations and fumarate(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 CANAC, NACAN, CACOO and C@CAC skeletal groups are discussed. The vibrational assignments have been supported by the isotropic frequency shift.-
Idioma: dc.languageen-
Direitos: dc.rightsO Periódico Journal of Molecular Structure concede permissão para depósito do artigo no Repositório Institucional da UFOP. Número da licença: 3564810048449.-
Palavras-chave: dc.subjectCrystal structure-
Palavras-chave: dc.subjectHydrogen bonds-
Palavras-chave: dc.subjectSpectroscopy-
Título: dc.titleStructural and spectroscopic characterisation of bis[1-(diaminomethylene)thiouron-1-ium] fumarate.-
Aparece nas coleções:Repositório Institucional - UFOP

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