1. Crystal structure and Hirshfeld surface analysis of dimethyl 5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazin-1-yl]benzene-1,3-dicarboxylate 0.224-hydrate
- Author
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S. R. Hajiyeva, Fatali E. Huseynov, Ajaya Bhattarai, Mehmet Akkurt, Nazim T. Shamilov, Gunay Z. Mammadova, and Zeliha Atioğlu
- Subjects
Surface (mathematics) ,crystal structure ,Crystal structure ,010402 general chemistry ,Ring (chemistry) ,01 natural sciences ,Research Communications ,Crystal ,chemistry.chemical_compound ,symbols.namesake ,Hirshfeld surface analysis ,General Materials Science ,Benzene ,Crystallography ,010405 organic chemistry ,Hydrogen bond ,1,3-diazinane ring ,General Chemistry ,Condensed Matter Physics ,0104 chemical sciences ,chemistry ,QD901-999 ,hydrogen bonds ,symbols ,van der Waals force ,Hydrate - Abstract
In the crystal, molecules are linked by pairs of N—H⋯O hydrogen bonds into ribbons along the c-axis direction. The layered crystal packing is further consolidated by van der Waals and C—H⋯π interactions., 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⋯π 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%).
- Published
- 2021
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