6-(2-Methyl-prop-yl)-4-oxo-2-sulfanyl-idene-1,2,3,4-tetra-hydro-pyrimidine-5-carbonitrile

Abstract

The title thio-uracil derivative, C(9)H(11)N(3)OS, exists in the thione form. The six atoms comprising the ring are almost coplanar [r.m.s. deviation = 0.015 Å] and the 2-methyl-propyl group lies approximately perpendicular to this plane [the N-C-C-C torsion angle is 72.88 (14)°]. Linear supra-molecular chains along [001] sustained by N-H⋯O and N-H⋯S hydrogen bonding feature in the crystal packing.

Fig. 1.

The molecular structure of (I) showing the atom-labelling scheme and displacement ellipsoids at the 50% probability level.

Fig. 2.

A view of the linear supramolecular chain along [001] in (I). The N—H···O and N—H···S hydrogen bonds are shown as orange and blue dashed lines, respectively.

Fig. 3.

A view in projection down the c axis of the unit-cell contents for (I). The N—H···O and N—H···S interactions are shown as orange and blue dashed lines, respectively.