In the title compound, C 21 H 15 N 5 OS 2 , molecular pairs are linked by N—H...N hydrogen bonds along the c- axis direction and C—H...S and C—H...O hydrogen bonds along the b- axis direction, with R 2 2 (12) and R 2 2 (16) motifs, respectively, thus forming layers parallel to the (104̄) plane. In addition, C=S...π and C[triple-bond]N...π interactions between the layers ensure crystal cohesion. The Hirshfeld surface analysis indicates that the major contributions to the crystal packing are H...H (43.0%), C...H/H...C (16.9%), N...H/H...N (11.3%) and S...H/H...S (10.9%) interactions.
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Naghiyev et al. (2024) studied this question.
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