Featuring non-covalent interactions in m-xylylenediaminium bis(perchlorate) monohydrate Synthesis, characterization and Hirshfeld surface analysis. ABSTRACT The novel compound (C 8 H 14 N 2 )(ClO 4 ) 2 .H 2 O (MXClO 4 ) has been elaborated by slow evaporation at room temperature and characterized by X-ray single crystal analysis, Hirshfeld surface analysis, differential scanning calorimetry analysis (DSC), IR and Raman spectroscopies. MXClO 4 crystallized in the monoclinic system, space group P2 1 /c, with a = 5.5781(10) Å, b = 11.1137(3) Å, c = 23.0731(7) Å, β = 95.414(1) º, V = 1424.0(3) Å 3 and Z = 4. The asymmetric unit of the title compound contains one m-xylylenediaminium cation, two 2 2 perchlorate anions and one water molecule. The atomic arrangement of the title compound can be described by a three-dimensional network. Therefore, chlorine atoms, Cl2, are discrete and Cl1 form with water molecules corrugated (5) infinite chains of formula (ClH 2 O 5 )extending along the a-axis at z = ¼ and ¾. These inorganic entities are allied to organic cations (C 8 H 14 N 2 ) 2+ through involved hydrogen bonding. The intermolecular interactions were further evaluated by using the three-dimensional Hirshfeld surfaces and two-dimensional fingerprint plots. The hydrogen bonding interactions associated to OW-H…O, N-H…O, N-H…OW and C-H…O represent the top fraction of 69.1 % followed by these of the H…H type contributing 17.5 %.

The crystal structure of the title salt consists of infinite (100) sheets of alternating organic and inorganic entities The m-xylylenediaminium cations are linked to the sulfate anions by N—H⋯O and asymmetric bifurcated N—H⋯(O,O) hydrogen bonds, generating a three-dimensional network. The Hirshfeld surface analysis and the two-dimensional fingerprint maps indicate that the packing is dominated by H⋯O/O⋯H and H⋯H contacts.