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

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Atioglu Z., AKKURT M. , Toze F. A. A. , Huseynov F. E. , Hajiyeva S. F.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.74, pp.1021-1032, 2018 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 74
  • Publication Date: 2018
  • Doi Number: 10.1107/s2056989018009118
  • Page Numbers: pp.1021-1032


In the anion of the title hydrated salt, C2H10N22+center dot C21H13N3O8S2-center dot 2H(2)O, the planes of the phenyl rings and the benzene ring of the 5-nitro-2-oxidobenzene-sulfonate group are inclined to one another by 44.42 (11), 56.87 (11) and 77.70 (12)degrees. In the crystal, the anions are linked to the cations and the water molecules by N-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonds, forming a three-dimensional network. Furthermore, there are face-to-face pi-pi 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) angstrom and slippage = 1.841 angstrom]. A Hirshfeld surface analysis was conducted to verify the contributions of the different intermolecular interactions.