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Volume 69 
Part 1 
Pages m60-m61  
January 2013  

Received 6 November 2012
Accepted 12 December 2012
Online 19 December 2012

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.003 Å
R = 0.021
wR = 0.051
Data-to-parameter ratio = 12.2
Details
Open access

catena-Poly[[[aqua(glycine-[kappa]O)lithium]-[mu]-glycine-[kappa]2O:O'] bromide]

aSchool of Physics, Bharathidasan University, Tiruchirappalli 620 024, India,bDepartment of Physics and Nanotechnology, SRM University, Kattankulathur 603 203, India,cDepartment of Bioinformatics, Alagappa University, Karaikudi 630 003, India, and dDepartment of Bioinformatics, School of Chemical and Biotechnology, SASTRA University, Thanjavur 613 401, India
Correspondence e-mail: thamu@scbt.sastra.edu

In the title coordination polymer, {[Li(C2H5NO2)2(H2O)]Br}n, the Li+ cation is coordinated by three carboxylate O atoms of zwitterionic glycine molecules and by a water molecule, forming a distorted tetrahedral geometry. One of the two glycine molecules bridges neighbouring complexes, forming an infinite chain parallel to the c axis. Polymeric chains are further linked by extensive hydrogen bonds involving the Br- anions and glycine and water molecules, producing a three-dimensional network.

Related literature

For hydrogen-bonding motifs, see Bernstein et al. (1995[Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555-1573.]). For glycine polymorphs, see: Marsh (1958[Marsh, R. E. (1958). Acta Cryst. 11, 654-663.]); Iitaka (1960[Iitaka, Y. (1960). Acta Cryst. 13, 35-45.], 1961[Iitaka, Y. (1961). Acta Cryst. 14, 1-10.]). For glycine with halogen and metal halogenides, see: Fleck (2008[Fleck, M. (2008). Z. Kristallogr. 223, 222-232.]). For related structures, see: Müller et al. (1994[Müller, G., Maier, G. M. & Lutz, M. (1994). Inorg. Chim. Acta, 218, 121-131.]); Baran et al. (2003[Baran, J., Drozd, M., Pietraszko, A., Trzebiatowska, M. & Ratajczak, H. J. (2003). Pol. J. Chem. 771, 1561-1577.], 2009[Baran, J., Drozd, M., Ratajczak, H. & Pietraszko, A. (2009). J. Mol. Struct. 927, 43-53.]); Fleck & Bohatý (2004[Fleck, M. & Bohatý, L. (2004). Acta Cryst. C60, m291-m295.]); Fleck et al. (2006[Fleck, M., Schwendtner, K. & Hensler, A. (2006). Acta Cryst. C62, m122-m125.]). For head-to-tail hydrogen bonds, see: Sharma et al. (2006[Sharma, A., Thamotharan, S., Roy, S. & Vijayan, M. (2006). Acta Cryst. C62, o148-o152.]); Selvaraj et al. (2007[Selvaraj, M., Thamotharan, S., Roy, S. & Vijayan, M. (2007). Acta Cryst. B63, 459-468.]).

[Scheme 1]

Experimental

Crystal data
  • [Li(C2H5NO2)2(H2O)]Br

  • Mr = 255.01

  • Monoclinic, P 21 /c

  • a = 7.5396 (6) Å

  • b = 17.4173 (14) Å

  • c = 8.2726 (12) Å

  • [beta] = 118.138 (7)°

  • V = 957.96 (18) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 4.28 mm-1

  • T = 173 K

  • 0.61 × 0.30 × 0.30 mm

Data collection
  • STOE IPDS diffractometer

  • Absorption correction: multi-scan (MULscanABS in PLATON; Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]) Tmin = 0.217, Tmax = 0.277

  • 7515 measured reflections

  • 1847 independent reflections

  • 1520 reflections with I > 2[sigma](I)

  • Rint = 0.043

Refinement
  • R[F2 > 2[sigma](F2)] = 0.021

  • wR(F2) = 0.051

  • S = 0.96

  • 1847 reflections

  • 151 parameters

  • 2 restraints

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

  • [Delta][rho]max = 0.55 e Å-3

  • [Delta][rho]min = -0.26 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1A...O4i 0.94 (3) 1.83 (3) 2.774 (2) 176 (3)
N1-H1B...O1Wii 0.92 (4) 2.15 (4) 2.989 (3) 151 (2)
N1-H1C...Br1iii 0.86 (3) 2.61 (3) 3.353 (2) 146 (3)
N2-H2A...Br1 0.81 (3) 2.48 (3) 3.283 (2) 170 (3)
N2-H2B...O1iv 0.90 (3) 2.00 (3) 2.833 (3) 153 (2)
N2-H2C...O1v 0.93 (3) 1.92 (3) 2.797 (2) 157 (3)
O1W-H1...O2vi 0.82 (2) 1.88 (2) 2.692 (2) 172 (3)
O1W-H2...Br1vii 0.83 (2) 2.48 (2) 3.2923 (17) 169 (3)
Symmetry codes: (i) x+1, y, z; (ii) [x+1, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]; (iii) -x+1, -y+2, -z+1; (iv) x-1, y, z-1; (v) -x, -y+2, -z+1; (vi) [x, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]; (vii) [x, -y+{\script{3\over 2}}, z+{\script{1\over 2}}].

Data collection: EXPOSE in IPDS (Stoe & Cie, 2000[Stoe & Cie (2000). IPDS. Stoe & Cie GmbH, Darmstadt, Germany.]); cell refinement: CELL in IPDS; data reduction: INTEGRATE in IPDS; 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: PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: AA2077 ).


Acknowledgements

TB thanks the University Grants Commission (UGC) for the award of a Research Fellowship under the Faculty Improvement Programme (FIP). We are grateful to Professor Helen Stoeckli-Evans, University of Neuchâtel, Switzerland, for measuring the X-ray diffraction data. ST thanks the management of SASTRA University for their encouragement.

References

Baran, J., Drozd, M., Pietraszko, A., Trzebiatowska, M. & Ratajczak, H. J. (2003). Pol. J. Chem. 771, 1561-1577.
Baran, J., Drozd, M., Ratajczak, H. & Pietraszko, A. (2009). J. Mol. Struct. 927, 43-53.  [ISI] [CSD] [CrossRef] [ChemPort]
Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555-1573.  [CrossRef] [ChemPort] [ISI]
Fleck, M. (2008). Z. Kristallogr. 223, 222-232.  [CrossRef] [ChemPort]
Fleck, M. & Bohatý, L. (2004). Acta Cryst. C60, m291-m295.  [CSD] [CrossRef] [details]
Fleck, M., Schwendtner, K. & Hensler, A. (2006). Acta Cryst. C62, m122-m125.  [CSD] [CrossRef] [details]
Iitaka, Y. (1960). Acta Cryst. 13, 35-45.  [CrossRef] [ChemPort] [details]
Iitaka, Y. (1961). Acta Cryst. 14, 1-10.  [CrossRef] [ChemPort] [details]
Marsh, R. E. (1958). Acta Cryst. 11, 654-663.  [CrossRef] [ChemPort] [details]
Müller, G., Maier, G. M. & Lutz, M. (1994). Inorg. Chim. Acta, 218, 121-131.
Selvaraj, M., Thamotharan, S., Roy, S. & Vijayan, M. (2007). Acta Cryst. B63, 459-468.  [ISI] [CSD] [CrossRef] [ChemPort] [details]
Sharma, A., Thamotharan, S., Roy, S. & Vijayan, M. (2006). Acta Cryst. C62, o148-o152.  [CSD] [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]
Stoe & Cie (2000). IPDS. Stoe & Cie GmbH, Darmstadt, Germany.


Acta Cryst (2013). E69, m60-m61   [ doi:10.1107/S1600536812050660 ]

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