Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-di-phenyl-propan-2-yl-idene)hydrazin-yl]-5-nitro-2-oxido-benzene-sulfonate dihydrate.

ABSTRACT: In the anion of the title hydrated salt, C₂H₁₀N₂²⁺·C₂₁H₁₃N₃O₈S^2-·2H₂O, the planes of the phenyl rings and the benzene ring of the 5-nitro-2-oxido-benzene-sulfonate 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 mol-ecules by N-H?O and O-H?O hydrogen bonds, forming a three-dimensional network. Furthermore, there are face-to-face ?-? stacking inter-actions between the centroids of one phenyl ring and the benzene ring of the 5-nitro-2-oxido-benzene-sulfonate 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 inter-molecular inter-actions.

SUBMITTER: Atioglu Z 

PROVIDER: S-EPMC6038648 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature