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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+·C21H13N3O8S2-·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

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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.

Atioğlu Zeliha Z   Akkurt Mehmet M   Toze Flavien A A FAA   Huseynov Fatali E FE   Hajiyeva Sarvinaz F SF  

Acta crystallographica. Section E, Crystallographic communications 20180628 Pt 7

In the anion of the title hydrated salt, C<sub>2</sub>H<sub>10</sub>N<sub>2</sub><sup>2+</sup>·C<sub>21</sub>H<sub>13</sub>N<sub>3</sub>O<sub>8</sub>S<sup>2-</sup>·2H<sub>2</sub>O, 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.  ...[more]

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