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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
In the title compound, [Nd(NO(3))(3)(H(2)O)(4)]·3C(3)H(4)N(4), 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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6127691/ https://www.ncbi.nlm.nih.gov/pubmed/30225123 http://dx.doi.org/10.1107/S2056989018011714 |
Sumario: | In the title compound, [Nd(NO(3))(3)(H(2)O)(4)]·3C(3)H(4)N(4), 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 R (2) (2)(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 R (3) (3)(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. |
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