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

ABSTRACT: 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.

SUBMITTER: Sangeetha R 

PROVIDER: S-EPMC6127691 | biostudies-literature | 2018 Sep

REPOSITORIES: biostudies-literature