Crystal structure reveals intermolecular and intramolecular interactions in diacetamide, indicating complex behavior.
The conformation of the title molecule, C 13 H 14 Cl 2 N 2 O 3 , is maintained by intramolecular N—H...O, C—H...O, and C—H...Cl interactions, creating S (6), S (5), and S (6) motifs, respectively. In the crystal, intermolecular N—H...O, C—H...O, and C—H...Cl interactions connect the molecules, forming a three-dimensional network. Additionally, the molecules are linked by C—H...π interactions, forming layers parallel to the (002) plane. The most important interactions, according to Hirshfeld two-dimensional fingerprint plots, are H...H (35.0%), O...H/H...O (21.2%), Cl...H/H...Cl (20.7%), and C...H/H...C (17.1%).
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Guseinov et al. (2025) studied this question.
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