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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.

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