1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazide acetonitrile monosolvate

• Autor(a) principal: Pederzolli, Fernanda Rosi Soares
• Data de Publicação: 2011
• Outros Autores: Bresolin, Leandro, Gervini, Vanessa Carratu, Locatelli, Aline, Oliveira, Adriano Bof de
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Repositório Institucional da FURG (RI FURG)
• Texto Completo: http://repositorio.furg.br/handle/1/4615
• topic: Single-crystal X-ray study; T = 293 K; Mean (C–C) = 0.005 A˚; R factor = 0.039; wR factor = 0.105; Data-to-parameter ratio = 19.5

In the crystal structure of the title compound, C9H7BrN4OS·C2H3N, the molecules are connected via N-H...O and N-H...S interactions into zigzag chains perpendicular to [001]. The molecules in these chains are additionally linked to acetonitrile solvent molecules through N-H...N hydrogen bonding. The molecules are arranged in layers and are stacked in the direction of the c axis indicative of [pi]-[pi] interactions, with distance = 3.381 (7) Å for the C...C interaction parallel to [001]. An intramolecular N-H...O hydrogen bond is also observed in the main molecule.