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    Crystal structure and Hirshfeld surface analysis of (E)-2-[2-(2-amino-1-cyano-2-oxo­ethyl­­idene)hydrazin-1-yl]benzoic acid N,N-di­methylformamide monosolvate
    (2023) Hajiyeva, Sevinc R; Huseynov, Fatali E; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya
    In the title compound, C10H8N4O3·C3H7NO, the asymmetric unit contains two crystallographically independent molecules A and B, each of which has one DMF solvate molecule. Molecules A and B both feature intramolecular N—H?O hydrogen bonds, forming S(6) ring motifs and consolidating the molecular configuration. In the crystal, N—H?O and O—H?O hydrogen bonds connect molecules A and B, forming R22(8) ring motifs. Weak C—H?O interactions link the molecules, forming layers parallel to the (\overline{2}12) plane. The DMF solvent molecules are also connected to the main molecules (A and B) by N—H?O hydrogen bonds. ?–? stacking interactions [centroid-to-centroid distance = 3.8702?(17)?Å] between the layers also increase the stability of the molecular structure in the third dimension. According to the Hirshfeld surface study, O?H/H?O interactions are the most significant contributors to the …
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    Öğe
    Crystal structure and Hirshfeld surface analysis of dimethyl 5-[2-(2,4,6-trioxo-1,3-diazinan-5-yl-idene)hydrazin-1-yl]benzene-1,3-dicarboxylate 0.124-hydrate
    (2021) Atioğlu, Zeliha; Akkurt, Mehmet; Mammadova, Gunay Z; Huseynov, Fatali E; Hajiyeva, Sevinj R; Shamilov, NT; Bhattarai, Ajaya
    In the crystal, the whole molecule of the title compound, C14H12N4O7·0.224H2O, is nearly planar with a maximum deviation from the least-squares plane of 0.352?(1)?Å. The molecular conformation is stabilized by an intramolecular N—H?O hydrogen bond, generating an S(6) ring motif. In the crystal, molecules are linked by centrosymmetric pairs of N—H?O hydrogen bonds, forming ribbons along the c-axis direction. These ribbons connected by van der Waals contacts, forming sheets parallel to the ac plane. There are also intermolecular van der Waals contacts and and C—H?? interactions between the sheets. A Hirshfeld surface analysis indicates that the most prevalent interactions are O?H/H?O (41.2%), H?H (19.2%), C?H/H?C (12.2%) and C?O/ O?C (8.4%).