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Volume 67 
Part 6 
Page m818  
June 2011  

Received 11 April 2011
Accepted 23 May 2011
Online 28 May 2011

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.002 Å
R = 0.050
wR = 0.153
Data-to-parameter ratio = 16.6
Details
Open access

Poly[([mu]2-nitrato-[kappa]2O:O')([mu]2-pyrimidinium-2-carboxylato-[kappa]2O:O')lithium(I)]

Wojciech Starostaa and Janusz Leciejewicza*

aInstitute of Nuclear Chemistry and Technology, ul.Dorodna 16, 03-195 Warszawa, Poland
Correspondence e-mail: j.leciejewicz@ichtj.waw.pl

In the structure of the title compound, [Li(C5H4N2O2)(NO3)]n, the LiI ion is coordinated by two carboxylate O atoms donated by two ligands and two nitrate O atoms in a distorted tetrahedral geometry. LiI ions, bridged by carboxylate O atoms, form molecular ribbons composed of dimeric units. Two nitrate O atoms link the ribbons into molecular layers parallel to (001). Hydrogen bonds are active between protonated heterocyclic N atoms as donors and carboxylate O atoms as acceptors. The layers are held together by van der Waals interactions.

Related literature

For the polymeric structures of some metal complexes with a pyrimidine-2-carboxylate ligand, see: Rodríguez-Diéguez et al. (2007[Rodríguez-Diéguez, A., Cano, J., Kivekas, R., Debdoubi, A. & Colacio, E. (2007). Inorg. Chem. 46, 2503-2510.], 2008[Rodríguez-Diéguez, A., Aouryaghal, H., Mota, A. J. & Colacio, E. (2008). Acta Cryst. E64, m618.]); Zhao & Liu (2010[Zhao, J.-P. & Liu, F.-C. (2010). Acta Cryst. E66, m1059.]); Zhang et al. (2008a[Zhang, J.-Y., Ma, Y., Cheng, A.-L., Yue, Q., Sun, Q. & Gao, E.-Q. (2008a). Dalton Trans. pp. 2061-2068.]). For structures built of monomeric molecules, see: Kokunov & Gorbunova (2007[Kokunov, Yu. V. & Gorbunova, Yu. E. (2007). Zh. Neorg. Khim. 52, 1632-1637.]); Antolic et al. (2000[Antolic, S., Kojic-Prodic, B. & Lovric, J. (2000). Acta Cryst. C56, e51-e52.]); Zhang et al. (2008b[Zhang, B.-Y., Yang, Q. & Nie, J.-J. (2008b). Acta Cryst. E64, m7.]); Suares-Varela et al. (2008[Suares-Varela, J., Mota, A. J., Luneau, D. & Colacio, E. (2008). Inorg. Chem. 47, 8143-8149.]).

[Scheme 1]

Experimental

Crystal data

  • [Li(C5H4N2O2)(NO3)]

  • Mr = 193.05

  • Orthorhombic, P b c a

  • a = 12.403 (3) Å

  • b = 9.3290 (19) Å

  • c = 12.810 (3) Å

  • V = 1482.2 (5) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 0.15 mm-1

  • T = 293 K

  • 0.49 × 0.48 × 0.14 mm
Data collection

  • Kuma KM-4 four-circle diffractometer

  • Absorption correction: analytical (CrysAlis RED; Oxford Diffraction,2008[Oxford Diffraction (2008). CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.]) Tmin = 0.782, Tmax = 0.939

  • 4248 measured reflections

  • 2179 independent reflections

  • 1504 reflections with I > 2[sigma](I)

  • Rint = 0.158

  • 3 standard reflections every 200 reflections intensity decay: 3.8%
Refinement

  • R[F2 > 2[sigma](F2)] = 0.050

  • wR(F2) = 0.153

  • S = 0.97

  • 2179 reflections

  • 131 parameters

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.43 e Å-3

  • [Delta][rho]min = -0.32 e Å-3

Table 1
Selected bond lengths (Å)

O1-Li1 1.978 (3)
O11-Li1 1.967 (3)
Li1-O12i 2.001 (4)
Li1-O2ii 2.019 (3)
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) [-x+{\script{3\over 2}}, y+{\script{1\over 2}}, z].

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2...O1iii 0.90 (3) 1.68 (3) 2.5762 (17) 174 (3)
Symmetry code: (iii) [-x+{\script{3\over 2}}, y-{\script{1\over 2}}, z].

Data collection: KM-4 Software (Kuma, 1996[Kuma (1996). KM-4 Software. Kuma Diffraction Ltd, Wroclaw, Poland.]); cell refinement: KM-4 Software; data reduction: DATAPROC (Kuma, 2001[Kuma (2001). DATAPROC. Kuma Diffraction Ltd, Wroclaw, Poland.]); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: KP2322 ).

References

Antolic, S., Kojic-Prodic, B. & Lovric, J. (2000). Acta Cryst. C56, e51-e52.  [CSD] [CrossRef] [details]
Kokunov, Yu. V. & Gorbunova, Yu. E. (2007). Zh. Neorg. Khim. 52, 1632-1637.  [ChemPort]
Kuma (1996). KM-4 Software. Kuma Diffraction Ltd, Wroclaw, Poland.
Kuma (2001). DATAPROC. Kuma Diffraction Ltd, Wroclaw, Poland.
Oxford Diffraction (2008). CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.
Rodríguez-Diéguez, A., Aouryaghal, H., Mota, A. J. & Colacio, E. (2008). Acta Cryst. E64, m618.  [CSD] [CrossRef] [details]
Rodríguez-Diéguez, A., Cano, J., Kivekas, R., Debdoubi, A. & Colacio, E. (2007). Inorg. Chem. 46, 2503-2510.  [PubMed]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Suares-Varela, J., Mota, A. J., Luneau, D. & Colacio, E. (2008). Inorg. Chem. 47, 8143-8149.  [PubMed]
Zhang, J.-Y., Ma, Y., Cheng, A.-L., Yue, Q., Sun, Q. & Gao, E.-Q. (2008a). Dalton Trans. pp. 2061-2068.
Zhang, B.-Y., Yang, Q. & Nie, J.-J. (2008b). Acta Cryst. E64, m7.  [CrossRef] [details]
Zhao, J.-P. & Liu, F.-C. (2010). Acta Cryst. E66, m1059.  [CrossRef] [details]

Acta Cryst (2011). E67, m818  [ doi:10.1107/S1600536811019520 ]

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