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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

Authors :
Zeliha Atioğlu
Mehmet Akkurt
Gunay Z. Mammadova
Fatali E. Huseynov
Sevinj R. Hajiyeva
Nazim T. Shamilov
Ajaya Bhattarai
Source :
Acta Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 7, Pp 759-764 (2021)
Publication Year :
2021
Publisher :
International Union of Crystallography, 2021.

Abstract

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%).

Details

Language :
English
ISSN :
20569890
Volume :
77
Issue :
7
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
edsdoj.3c4a962072249469e3bd5217392cc36
Document Type :
article
Full Text :
https://doi.org/10.1107/S2056989021006563