Crystal structure and Hirshfeld surface analysis of the 1:3 adduct of tetra-aqua-trinitrato-neodymium(III) with 3-amino-1,2,4-triazine.

In the title compound, [Nd(NO3)3(H2O)4]·3C3H4N4, neodymium is ten-coordinate with a distorted bicapped square-anti-prismatic geometry formed from six O atoms from three nitrate ions and four O atoms from four coordinated water mol-ecules. The structure also contains neutral 3-amino-1,2,4-triazine mol-ecules which are not coordinated to the central metal atom. The coordinated water mol-ecules and nitrate ions of adjacent complexes are linked by O-H⋯O hydrogen bonds to form cyclic R22(8) ring motifs, which in turn are further connected via hydrogen bonds to generate a sheet-like structure. The triazine mol-ecules are involved in a number of hydrogen-bonding inter-actions: N-H⋯N and O-H⋯N inter-actions to form R33(9) motifs and N-H⋯N inter-actions to link the organic mol-ecules into chains. Weak C-H⋯O hydrogen bonds also occur between triazine mol-ecules and coordinated nitrate atoms. All these inter-molecular contacts contribute to the stabilization of the three-dimensional supra-molecular framework. Hirshfeld surface analysis shows that N⋯H/H⋯N and H⋯H inter-actions account for 42.9 and 20.6% of the surface, respectively.