catena-Poly[[[aqua­(glycine-κO)lithium]-μ-glycine-κ2O:O′] bromide]

Balakrishnan, T.; Ramamurthi, K.; Jeyakanthan, J.; Thamotharan, S.

doi:10.1107/S1600536812050660

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 (C-C) = 0.003 Å
R = 0.021
wR = 0.051
Data-to-parameter ratio = 12.2
Details

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

T. Balakrishnan,^a K. Ramamurthi,^b J. Jeyakanthan ^c and S. Thamotharan ^d ^*

^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). For glycine polymorphs, see: Marsh (1958); Iitaka (1960, 1961). For glycine with halogen and metal halogenides, see: Fleck (2008). For related structures, see: Müller et al. (1994); Baran et al. (2003, 2009); Fleck & Bohatý (2004); Fleck et al. (2006). For head-to-tail hydrogen bonds, see: Sharma et al. (2006); Selvaraj et al. (2007).

Experimental

Crystal data

[Li(C₂H₅NO₂)₂(H₂O)]Br
M_r = 255.01
Monoclinic, P 2₁ /c
a = 7.5396 (6) Å
b = 17.4173 (14) Å
c = 8.2726 (12) Å
= 118.138 (7)°
V = 957.96 (18) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.217, T_max = 0.277
7515 measured reflections
1847 independent reflections
1520 reflections with I > 2(I)
R_int = 0.043

Refinement

R[F² > 2(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
_max = 0.55 e Å^-3
_min = -0.26 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1AO4ⁱ	0.94 (3)	1.83 (3)	2.774 (2)	176 (3)
N1-H1BO1Wⁱⁱ	0.92 (4)	2.15 (4)	2.989 (3)	151 (2)
N1-H1CBr1ⁱⁱⁱ	0.86 (3)	2.61 (3)	3.353 (2)	146 (3)
N2-H2ABr1	0.81 (3)	2.48 (3)	3.283 (2)	170 (3)
N2-H2BO1^iv	0.90 (3)	2.00 (3)	2.833 (3)	153 (2)
N2-H2CO1^v	0.93 (3)	1.92 (3)	2.797 (2)	157 (3)
O1W-H1O2^vi	0.82 (2)	1.88 (2)	2.692 (2)	172 (3)
O1W-H2Br1^vii	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); cell refinement: CELL in IPDS; data reduction: INTEGRATE in IPDS; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2009); 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

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