A second monoclinic polymorph of 6-amino-1,3-dimethyl-5-[(E)-2(methylsulfanyl)benzylideneamino]pyrimidine -2,4(1H, 3H)-dione

作者：Booysen Irvin; Muhammed Ismail; Soares Anna; Gerber Thomas; Hosten Eric; Betz Richard^*

来源：Acta Crystallographica Section E-Structure Reports Online, 2011, 67: O2025-U412.

DOI：10.1107/S1600536811027322

A new monoclinic form of the title compound, C14H16N4O2S, has been identified unexpectedly during an attempt to synthesize a coordination compound. The heterocyclic ring is essentially planar (r.m.s. deviation = 0.005 angstrom) and makes a dihedral angle of 8.77 (5)degrees with the benzene ring. This is in contrast to 12.24 (7)degrees reported for the first monoclinic polymorph [Booysen et al. (2011). Acta Cryst. E67, o1592]. An intramolecular N-H center dot center dot center dot S hydrogen bond is observed. In the crystal, intermolecular N-H center dot center dot center dot O hydrogen bonds link the molecules into zigzag chains along the b axis. The closest distance between the centroids of symmetry-related heterocyclic rings is 3.5161 (6) angstrom.

• 出版日期2011-8