m-Xylylenediaminium sulfate: crystal structure and Hirshfeld surface analysis

Afef Guesmi (1) , Sofian Gatfaoui (1) , Thierry Roisnel (2) , Houda Marouani (1)

1 Faculté des Sciences de Bizerte [Université de Carthage]
2 ISCR - Institut des Sciences Chimiques de Rennes

The crystal structure of the title salt \systematic name: [1,3-phenyl-enebis(methyl-ene)]bis-(aza-nium) sulfate\, C8H14N2 (2+)·SO4 (2-), consists of infinite (100) sheets of alternating organic and inorganic entities The m-xylylenediaminium cations are linked to the sulfate anions by N-H(midline ellipsis)O and asymmetric bifurcated N-H(midline ellipsis)(O,O) hydrogen bonds, generating a three-dimensional network. A weak C-H(midline ellipsis)O inter-action also occurs. The Hirshfeld surface analysis and the two-dimensional fingerprint maps indicate that the packing is dominated by H(midline ellipsis)O/O(midline ellipsis)H and H(midline ellipsis)H contacts.[on SciFinder (R)]

Keywords: hydrogen bonding; hirshfeld surface analysis; fingerprint maps; sulfate; m-xylylenediaminium; crystal structure

Domains: Chemical Sciences

Afef Guesmi, Sofian Gatfaoui, Thierry Roisnel, Houda Marouani. m-Xylylenediaminium sulfate: crystal structure and Hirshfeld surface analysis. Acta crystallographica Section E : Crystallographic communications [2015-..], 2016, 72 (6), pp.776--9. ⟨10.1107/S2056989016006940⟩. ⟨hal-01334052⟩