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 language | English |
|---|---|
| Pages (from-to) | m205-m208 |
| Number of pages | 4 |
| Journal | Acta Crystallographica Section C, Crystal Structure Communications |
| Volume | 64 |
| Issue number | 5 |
| DOIs | |
| Publication status | Published - May 2008 |
Keywords
- crystal-structures
- dichloride
- chloride
Cite this
Two scandium-biuret complexes : [Sc(C2H5N3O2)(H2O)(5)]Cl-3 center dot H2O and [Sc(C2H5N3O2)(4)](NO3)(3). / Harrison, William T. A.
In: Acta Crystallographica Section C, Crystal Structure Communications, Vol. 64, No. 5, 05.2008, p. m205-m208.Research output: Contribution to journal › Article
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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 -