Poly[di-μ-aqua-μ4-(pyrazine-2,5-dicarboxyl­ato)-dilithium(I)]

Starosta, W.; Leciejewicz, J.

doi:10.1107/S1600536810050762

Volume 67
Part 1
Pages m50-m51
January 2011

Received 29 November 2010
Accepted 3 December 2010
Online 8 December 2010

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
R = 0.054
wR = 0.161
Data-to-parameter ratio = 14.6
Details

Poly[di--aqua-₄-(pyrazine-2,5-dicarboxylato)-dilithium(I)]

Wojciech Starosta ^a and Janusz Leciejewicz ^a ^*

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

In the title coordination polymer, [Li₂(C₆H₂N₂O₂)(H₂O)₂]_n the pyrazine-2,5-dicarboxylate dianionic ligand bridges two symmetry-independent Li⁺ ions using both its N,O-chelating sites. The carboxylate O atom of one of them also bridges to another Li⁺ ion, while the second O atom of this group is bonded to another Li⁺ ion. Two symmetry-independent water O atoms participate also in the bridging system, which gives rise to a polymeric three-dimensional framework. Both Li⁺ ions show distorted trigonal-bipyramidal LiNO₄ coordination geometries, with the N atom in an axial site in both cases. The packing is consolidated by O-HO hydrogen bonds, which occur between water molecules as donors and carboxylate O atoms as acceptors.

Related literature

For the crystal structures of transition metal complexes with the title ligand, see: Beobide et al. (2003); Xu et al. (2003); Beobide et al. (2006). For the structures of Cd and Zn complexes, see: Liu et al. (2009); Yang & Wu (2009); Yang et al. (2009). For the structures of polymeric lanthanide complexes, see: Zheng & Jin (2005); Yang et al. (2009). For the structure of a Th(IV) complex, see: Frisch & Cahill (2008). For the structure of an Sr(II) complex, see: Ptasiewicz-Bak & Leciejewicz (1998a). The structures of Li(I) complexes with pyrazine-2,3-dicarboxylate and water ligands (Tombul et al., 2008), 3-aminopyrazine-2-carboxylate and water ligands (Starosta & Leciejewicz, 2010a) and pyrazine-2,3,5,6-tetracarboxylate and water ligands (Starosta & Leciejewicz, 2010b) have been published. For the structure of pyrazine-2,5-dicarboxylic acid dihydrate, see: Ptasiewicz-Bak & Leciejewicz (1998b); Vishweshwar et al. (2002).

Experimental

Crystal data

[Li₂(C₆H₂N₂O₂)(H₂O)₂]
M_r = 216.01
Monoclinic, P 2₁ /n
a = 7.2107 (14) Å
b = 7.3646 (15) Å
c = 15.327 (3) Å
= 99.71 (3)°
V = 802.2 (3) Å³
Z = 4
Mo K radiation
= 0.16 mm^-1
T = 293 K
0.33 × 0.17 × 0.15 mm

Data collection

Kuma KM-4 four-circle diffractometer
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2008 $[Oxford Diffraction (2008). CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.]$ ) T_min = 0.976, T_max = 0.985
2520 measured reflections
2348 independent reflections
1694 reflections with I > 2(I)
R_int = 0.069
3 standard reflections every 200 reflections intensity decay: 0.6%

Refinement

R[F² > 2(F²)] = 0.054
wR(F²) = 0.161
S = 0.99
2348 reflections
161 parameters
H atoms treated by a mixture of independent and constrained refinement
_max = 0.73 e Å^-3
_min = -0.62 e Å^-3

Table 1
Selected bond lengths (Å)

Li1-O1	1.958 (3)
Li1-O5	2.020 (3)
Li1-O6	2.077 (3)
Li1-O3ⁱ	2.131 (3)
Li1-N1	2.360 (3)
Li2-O6ⁱⁱ	1.981 (3)
Li2-O3	2.045 (3)
Li2-O5ⁱⁱⁱ	2.056 (3)
Li2-O4^iv	2.332 (4)
Li2-N2	2.129 (3)
Symmetry codes: (i) $[x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (ii) $[x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (iii) -x+2, -y, -z+2; (iv) $[-x+{\script{3\over 2}}, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]$ .

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O6-H62O2^v	0.88 (3)	1.86 (3)	2.7210 (16)	165 (3)
O6-H61O2^vi	0.84 (4)	2.00 (4)	2.8351 (19)	170 (4)
O5-H52O4^vii	0.91 (3)	1.82 (3)	2.7292 (17)	175 (3)
O5-H51O1^viii	0.83 (3)	1.87 (3)	2.6842 (16)	169 (3)
Symmetry codes: (v) x, y+1, z; (vi) -x+1, -y, -z+2; (vii) -x+2, -y+1, -z+2; (viii) $[-x+{\script{3\over 2}}, y+{\script{1\over 2}}, -z+{\script{5\over 2}}]$ .

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); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB5759 ).

References

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metal-organic compounds

Poly[di--aqua-4-(pyrazine-2,5-dicarboxylato)-dilithium(I)]