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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure and Hirshfeld surface analysis of the 1:3 adduct of tetra­aqua­trinitrato­neodymium(III) with 3-amino-1,2,4-triazine
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Crystal structure and Hirshfeld surface analysis of the 1:3 adduct of tetra­aqua­trinitrato­neodymium(III) with 3-amino-1,2,4-triazine

机译：四水合亚硝酸三ody（III）与3-氨基-1,2,4-三嗪的1：3加合物的晶体结构和Hirshfeld表面分析

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摘要

In the title compound, [Nd(NO3)3(H2O)4]·3C3H4N4, neodymium is ten-coordinate with a distorted bicapped square-anti­prismatic geometry formed from six O atoms from three nitrate ions and four O atoms from four coordinated water mol­ecules. The structure also contains neutral 3-amino-1,2,4-triazine mol­ecules which are not coordinated to the central metal atom. The coordinated water mol­ecules 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 mol­ecules are involved in a number of hydrogen-bonding inter­actions: N—H⋯N and O—H⋯N inter­actions to form R33(9) motifs and N—H⋯N inter­actions to link the organic mol­ecules into chains. Weak C—H⋯O hydrogen bonds also occur between triazine mol­ecules and coordinated nitrate atoms. All these inter­molecular contacts contribute to the stabilization of the three-dimensional supra­molecular framework. Hirshfeld surface analysis shows that N⋯H/H⋯N and H⋯H inter­actions account for 42.9 and 20.6% of the surface, respectively.
机译：在标题化合物[Nd（NO3）3（H2O）4]·3C3H4N4中，钕是十坐标的，具有扭曲的，由三个硝酸根离子中的六个O原子和来自四个配位水分子中的四个O原子形成的扭曲的方形反棱角几何形状。该结构还包含不与中心金属原子配位的中性3-氨基-1,2,4-三嗪分子。相邻配合物的配位的水分子和硝酸根离子通过O-H = O氢键连接，形成环状R22（8）环基序，而这些基序又通过氢键连接，从而形成片状结构。三嗪分子参与许多氢键相互作用：NH-N和OH-N相互作用形成R33（9）图案，NH-N相互作用将有机分子连接成链。在三嗪分子和配位的硝酸根原子之间也存在弱的CHHO氢键。所有这些分子间接触都有助于三维超分子框架的稳定。 Hirshfeld表面分析表明，N⋯H / H⋯N和H⋯H相互作用分别占表面的42.9和20.6％。

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