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Acta Crystallogr E Crystallogr Commun ; 80(Pt 2): 110-116, 2024 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-38333118

RESUMO

In the title compound, C10H8N4O3·C3H7NO, the asymmetric unit contains two crystallographically independent mol-ecules A and B, each of which has one DMF solvate mol-ecule. Mol-ecules A and B both feature intra-molecular N-H⋯O hydrogen bonds, forming S(6) ring motifs and consolidating the mol-ecular configuration. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds connect mol-ecules A and B, forming R 2 2(8) ring motifs. Weak C-H⋯O inter-actions link the mol-ecules, forming layers parallel to the (12) plane. The DMF solvent mol-ecules are also connected to the main mol-ecules (A and B) by N-H⋯O hydrogen bonds. π-π stacking inter-actions [centroid-to-centroid distance = 3.8702 (17) Å] between the layers also increase the stability of the mol-ecular structure in the third dimension. According to the Hirshfeld surface study, O⋯H/H⋯O inter-actions are the most significant contributors to the crystal packing (27.5% for mol-ecule A and 25.1% for mol-ecule B).

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