ABSTRACT
In the title compound, C13H13ClO4, the dihedral angle between the chloro-benezene ring and the least-squares plane through the 4-meth-oxy-2-oxobut-3-enoate ethyl ester residue (r.m.s. deviation = 0.0975â Å) is 54.10â (5)°. In the crystal, mol-ecules are connected by meth-oxy-ketone and benzene-carboxyl-ate carbonyl C-Hâ¯O inter-actions, generating a supra-molecular layer in the ac plane.
ABSTRACT
The title mol-ecule, C9H7ClN4OS, is almost planar, with an r.m.s. deviation of 0.034â (2)â Å for the mean plane through all the non-H atoms. Intra-molecular N-Hâ¯O and N-Hâ¯N hydrogen bonds form S(6) and S(5) ring motifs, respectively. In the crystal, mol-ecules are assembled into inversion dimers through pairs of co-operative N-Hâ¯Cl inter-actions. These dimers are connected along the b axis by N-Hâ¯O and N-Hâ¯S hydrogen bonds, generating layers parallel to (103). The layers are further connected along the a axis into a three-dimensional network, through weak π-π stacking inter-actions [centroid-centroid distance = 3.849â (2)â Å].