Two scandium-biuret complexes

[Sc(C2H5N3O2)(H2O)(5)]Cl-3 center dot H2O and [Sc(C2H5N3O2)(4)](NO3)(3)

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Abstract

The scandium(III) cations in the structures of pentaaqua(biuret-kappa O-2,O')scandium(III) trichloride monohydrate, [Sc(C2H5N3O2)(H2O)(5)]Cl-3 center dot H2O, (I), and tetrakis(biuret-kappa O-2,O')scandium(III) trinitrate, [Sc(C2H5N3O2)(4)](NO3)(3), (II), are found to adopt very different coordinations with the same biuret ligand. The roles of hydrogen bonding and the counterion in the establishment of the structures are described. In (I), the Sc3+ cation adopts a fairly regular pentagonal bipyramidal coordination geometry arising from one O,O'-bidentate biuret molecule and five water molecules. A dense network of N-H center dot center dot center dot Cl, O-H center dot center dot center dot O and O-H center dot center dot center dot Cl hydrogen bonds help to establish the packing, resulting in dimeric associations of two cations and two water molecules. In (II), the Sc3+ cation (site symmetry 2) adopts a slightly squashed square-antiprismatic geometry arising from four O,O'-bidentate biuret molecules. A network of N-H center dot center dot center dot O hydrogen bonds help to establish the packing, which features [010] chains of cations. One of the nitrate ions is disordered about an inversion centre. Both structures form three-dimensional hydrogen-bond networks.

Original languageEnglish
Pages (from-to)m205-m208
Number of pages4
JournalActa Crystallographica Section C, Crystal Structure Communications
Volume64
Issue number5
DOIs
Publication statusPublished - May 2008

Keywords

  • crystal-structures
  • dichloride
  • chloride

Cite this

@article{e5848af1b5e844fdb1377b4b7c56c36f,
title = "Two scandium-biuret complexes: [Sc(C2H5N3O2)(H2O)(5)]Cl-3 center dot H2O and [Sc(C2H5N3O2)(4)](NO3)(3)",
abstract = "The scandium(III) cations in the structures of pentaaqua(biuret-kappa O-2,O')scandium(III) trichloride monohydrate, [Sc(C2H5N3O2)(H2O)(5)]Cl-3 center dot H2O, (I), and tetrakis(biuret-kappa O-2,O')scandium(III) trinitrate, [Sc(C2H5N3O2)(4)](NO3)(3), (II), are found to adopt very different coordinations with the same biuret ligand. The roles of hydrogen bonding and the counterion in the establishment of the structures are described. In (I), the Sc3+ cation adopts a fairly regular pentagonal bipyramidal coordination geometry arising from one O,O'-bidentate biuret molecule and five water molecules. A dense network of N-H center dot center dot center dot Cl, O-H center dot center dot center dot O and O-H center dot center dot center dot Cl hydrogen bonds help to establish the packing, resulting in dimeric associations of two cations and two water molecules. In (II), the Sc3+ cation (site symmetry 2) adopts a slightly squashed square-antiprismatic geometry arising from four O,O'-bidentate biuret molecules. A network of N-H center dot center dot center dot O hydrogen bonds help to establish the packing, which features [010] chains of cations. One of the nitrate ions is disordered about an inversion centre. Both structures form three-dimensional hydrogen-bond networks.",
keywords = "crystal-structures, dichloride, chloride",
author = "Harrison, {William T. A.}",
year = "2008",
month = "5",
doi = "10.1107/S010827010800824X",
language = "English",
volume = "64",
pages = "m205--m208",
journal = "Acta Crystallographica Section C, Crystal Structure Communications",
issn = "0108-2701",
publisher = "Wiley-Blackwell",
number = "5",

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TY - JOUR

T1 - Two scandium-biuret complexes

T2 - [Sc(C2H5N3O2)(H2O)(5)]Cl-3 center dot H2O and [Sc(C2H5N3O2)(4)](NO3)(3)

AU - Harrison, William T. A.

PY - 2008/5

Y1 - 2008/5

N2 - The scandium(III) cations in the structures of pentaaqua(biuret-kappa O-2,O')scandium(III) trichloride monohydrate, [Sc(C2H5N3O2)(H2O)(5)]Cl-3 center dot H2O, (I), and tetrakis(biuret-kappa O-2,O')scandium(III) trinitrate, [Sc(C2H5N3O2)(4)](NO3)(3), (II), are found to adopt very different coordinations with the same biuret ligand. The roles of hydrogen bonding and the counterion in the establishment of the structures are described. In (I), the Sc3+ cation adopts a fairly regular pentagonal bipyramidal coordination geometry arising from one O,O'-bidentate biuret molecule and five water molecules. A dense network of N-H center dot center dot center dot Cl, O-H center dot center dot center dot O and O-H center dot center dot center dot Cl hydrogen bonds help to establish the packing, resulting in dimeric associations of two cations and two water molecules. In (II), the Sc3+ cation (site symmetry 2) adopts a slightly squashed square-antiprismatic geometry arising from four O,O'-bidentate biuret molecules. A network of N-H center dot center dot center dot O hydrogen bonds help to establish the packing, which features [010] chains of cations. One of the nitrate ions is disordered about an inversion centre. Both structures form three-dimensional hydrogen-bond networks.

AB - The scandium(III) cations in the structures of pentaaqua(biuret-kappa O-2,O')scandium(III) trichloride monohydrate, [Sc(C2H5N3O2)(H2O)(5)]Cl-3 center dot H2O, (I), and tetrakis(biuret-kappa O-2,O')scandium(III) trinitrate, [Sc(C2H5N3O2)(4)](NO3)(3), (II), are found to adopt very different coordinations with the same biuret ligand. The roles of hydrogen bonding and the counterion in the establishment of the structures are described. In (I), the Sc3+ cation adopts a fairly regular pentagonal bipyramidal coordination geometry arising from one O,O'-bidentate biuret molecule and five water molecules. A dense network of N-H center dot center dot center dot Cl, O-H center dot center dot center dot O and O-H center dot center dot center dot Cl hydrogen bonds help to establish the packing, resulting in dimeric associations of two cations and two water molecules. In (II), the Sc3+ cation (site symmetry 2) adopts a slightly squashed square-antiprismatic geometry arising from four O,O'-bidentate biuret molecules. A network of N-H center dot center dot center dot O hydrogen bonds help to establish the packing, which features [010] chains of cations. One of the nitrate ions is disordered about an inversion centre. Both structures form three-dimensional hydrogen-bond networks.

KW - crystal-structures

KW - dichloride

KW - chloride

U2 - 10.1107/S010827010800824X

DO - 10.1107/S010827010800824X

M3 - Article

VL - 64

SP - m205-m208

JO - Acta Crystallographica Section C, Crystal Structure Communications

JF - Acta Crystallographica Section C, Crystal Structure Communications

SN - 0108-2701

IS - 5

ER -