Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]-5-nitro-2-oxidobenzenesulfonate dihydrate

• Main Authors: Zeliha Atioğlu, Mehmet Akkurt, Flavien A. A. Toze, Fatali E. Huseynov, Sarvinaz F. Hajiyeva
• Format: Article
• Language: English
• Published: International Union of Crystallography 2018-07-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; 5-nitro-2-oxidobenzenesulfonate group; hydrogen bond; π–π stacking; Hirshfeld surface analysis
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989018009118
• ISSN: 2056-9890

In the anion of the title hydrated salt, C2H10N22+·C21H13N3O8S2−·2H2O, the planes of the phenyl rings and the benzene ring of the 5-nitro-2-oxidobenzenesulfonate group are inclined to one another by 44.42 (11), 56.87 (11) and 77.70 (12)°. In the crystal, the anions are linked to the cations and the water molecules by N—H...O and O—H...O hydrogen bonds, forming a three-dimensional network. Furthermore, there are face-to-face π–π stacking interactions between the centroids of one phenyl ring and the benzene ring of the 5-nitro-2-oxidobenzenesulfonate group [centroid–centroid distance = 3.8382 (13) Å and slippage = 1.841 Å]. A Hirshfeld surface analysis was conducted to verify the contributions of the different intermolecular interactions.