Crystal structure, Hirshfeld surface and computational study of 1-(9,10-dioxo-9,10-di­hydroanthracen-1-yl)-3-propano­ylthio­urea

The title compound, C(18)H(14)N(2)O(3)S, crystallizes in the ortho­rhom­bic crystal system and Pbca space group. The thio­urea chromophore is planar to an r.m.s deviation of 0.032 Å with the thiol­ate sulfur atom being the most deviated. Bifurcated N—H⋯O intra­molecular hydrogen bonds result in an S(6) supra­molecular synthon. In the crystal, mol­ecules are linked by N—H⋯O inter­molecular hydrogen-bonding inter­actions and stabilized by C—H⋯π and π–π inter­actions. Hirshfeld surface analysis and fingerprint plot indicate the H⋯H inter­molecular contacts as the highest contributor to the overall surface contacts (38%) and this is supported by the high dispersive and electrostatic inter­action energies.