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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...

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Autores principales: Sangeetha, Ramalingam, Balasubramani, Kasthuri, Jose Kavitha, Savaridasson, Hemamalini, Madhukumar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
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
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author Sangeetha, Ramalingam
Balasubramani, Kasthuri
Jose Kavitha, Savaridasson
Hemamalini, Madhukumar
author_facet Sangeetha, Ramalingam
Balasubramani, Kasthuri
Jose Kavitha, Savaridasson
Hemamalini, Madhukumar
author_sort Sangeetha, Ramalingam
collection PubMed
description 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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spelling pubmed-61276912018-09-17 Crystal structure and Hirshfeld surface analysis of the 1:3 adduct of tetra­aqua­trinitrato­neodymium(III) with 3-amino-1,2,4-triazine Sangeetha, Ramalingam Balasubramani, Kasthuri Jose Kavitha, Savaridasson Hemamalini, Madhukumar Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2018-08-24 /pmc/articles/PMC6127691/ /pubmed/30225123 http://dx.doi.org/10.1107/S2056989018011714 Text en © Sangeetha et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Sangeetha, Ramalingam
Balasubramani, Kasthuri
Jose Kavitha, Savaridasson
Hemamalini, Madhukumar
Crystal structure and Hirshfeld surface analysis of the 1:3 adduct of tetra­aqua­trinitrato­neodymium(III) with 3-amino-1,2,4-triazine
title Crystal structure and Hirshfeld surface analysis of the 1:3 adduct of tetra­aqua­trinitrato­neodymium(III) with 3-amino-1,2,4-triazine
title_full Crystal structure and Hirshfeld surface analysis of the 1:3 adduct of tetra­aqua­trinitrato­neodymium(III) with 3-amino-1,2,4-triazine
title_fullStr Crystal structure and Hirshfeld surface analysis of the 1:3 adduct of tetra­aqua­trinitrato­neodymium(III) with 3-amino-1,2,4-triazine
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of the 1:3 adduct of tetra­aqua­trinitrato­neodymium(III) with 3-amino-1,2,4-triazine
title_short Crystal structure and Hirshfeld surface analysis of the 1:3 adduct of tetra­aqua­trinitrato­neodymium(III) with 3-amino-1,2,4-triazine
title_sort crystal structure and hirshfeld surface analysis of the 1:3 adduct of tetra­aqua­trinitrato­neodymium(iii) with 3-amino-1,2,4-triazine
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6127691/
https://www.ncbi.nlm.nih.gov/pubmed/30225123
http://dx.doi.org/10.1107/S2056989018011714
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