Research Article: 6-Amino-1,3-dimethyl-5-[(E)-2-(methyl­sulfan­yl)benzyl­idene­amino]­pyrimidine-2,4(1H,3H)-dione–1,3,7,9-tetra­methyl­pyrimido[5,4-g]pteridine-2,4,6,8-tetrone (1/1)

Date Published: August 01, 2012

Publisher: International Union of Crystallography

Author(s): Irvin N. Booysen, Muhammed B. Ismail, Matthew P. Akerman.


In the title co-crystal, C12H12N6O4·C14H16N4O2S, both mol­ecules are essentially planar [maximum deviations = 0.129 (1) and 0.097 (1) Å, respectively]. The tricyclic and Schiff base mol­ecules are alternately stacked along the a axis and are linked by π–π inter­actions with centroid–centroid distances of 3.5170 (16) and 3.6576 (17) Å. An intra­molecular C—H⋯O hydrogen bond and a C—H⋯S contact occur in the Schiff base molecule. In the crystal, N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds lead to the formation of a three-dimensional network.

Partial Text

For the crystal structure of a Schiff base derived from 5,6-diamino-1,3-dimethyl­pyrimidine-2,4(1H,3H)-dione and pico­lin­aldehyde, see: Booysen et al. (2011a ▶). For the crystal structure of the title Schiff base, see: Booysen et al. (2011b ▶). For the crystal structure of the title tricyclic compound, see: Booysen et al. (2008 ▶). For details of the use of the Schiff base N-(2-amino­benzyl­idene)-5-amino-1,3-dimethyl­pyrimidine-2,4(1H,3H)-dione as a che­lating ligand towards rhenium, see: Mayer et al. (2010 ▶). For applications of Schiff base ligands, see: Kumar et al.. 2009 ▶.




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