Hydrogen-bonding network in the crystal of 1-(diaminomethylene)thiouron-1-ium picrate

✍ Scribed by Jan Janczak; Genivaldo Julio Perpétuo

• Book ID: 104060138
• Publisher: Elsevier Science
• Year: 2010
• Tongue: English
• Weight: 595 KB
• Volume: 975
• Category: Article
• ISSN: 0022-2860
• DOI: 10.1016/j.molstruc.2010.04.015

✦ Synopsis

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(À) anion is non-planar. Both NO 2 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(À) 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 NH 2 , NO 2 , C@S and C ar AO groups as well as of skeletal groups are discussed.