Crystal structure of (E)-2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazine-1-carbothioamide

• Autor(a) principal: Oliveira, Adriano Bof de
• Data de Publicação: 2015
• Outros Autores: Beck, Johannes, Landvogt, Christian, Santos Feitosa, Barbara Regina, Rocha, Fillipe Vieira [UNESP]
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Repositório Institucional da UNESP
• Texto Completo: http://dx.doi.org/10.1107/S2056989014026401; http://hdl.handle.net/11449/158700
• topic: crystal structure; thiosemicarbazone; raspberry ketone; hydrogen bonding; three-dimensional

The title compound, C11H15N3OS, is a thiosemicarbazone derivative of the raspberry ketone rheosmin [systematic name: 4-(4-hydroxyphenyl) butane-2-one]. The molecule deviates from planarity, with the bridging C-C-C=N torsion angle equal to -101.3 (2)degrees. The maximum deviation from the mean plane of the non-H atoms of the thiosemicarbazone fragment [C=N-N-C(=S)-N] is 0.085 (5) angstrom for the Schiff base N atom, and the dihedral angle between this mean plane and the aromatic ring is 50.31 (8)degrees. In the crystal, molecules are linked by N-H center dot center dot center dot O, N-H center dot center dot center dot S and O-H center dot center dot center dot S hydrogen bonds, forming a three-dimensional structure, with the molecules stacked along [011].