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Volume 69 
Part 7 
Pages m381-m382  
July 2013  

Received 3 June 2013
Accepted 5 June 2013
Online 15 June 2013

Key indicators
Single-crystal X-ray study
T = 294 K
Mean [sigma](C-C) = 0.002 Å
R = 0.026
wR = 0.069
Data-to-parameter ratio = 17.4
Details
Open access

catena-Poly[aquabis([mu]-3-chlorobenzoato-[kappa]2O:O')zinc]

aDepartment of Chemistry, Kafkas University, 36100 Kars, Turkey,bAksaray University, Department of Physics, 68100, Aksaray, Turkey,cDepartment of Physics, Sakarya University, 54187 Esentepe, Sakarya, Turkey, and dDepartment of Physics, Hacettepe University, 06800 Beytepe, Ankara, Turkey
Correspondence e-mail: merzifon@hacettepe.edu.tr

In the polymeric title compound, [Zn(C7H4ClO2)2(H2O)]n, the ZnII cation is located on a twofold rotation axis and is coordinated by carboxylate O atoms of four monodentate chlorobenzoate anions and by one water molecule, located on a twofold rotation axis, in a distorted square-pyramidal geometry. In the anion, the carboxylate group is twisted away from the attached benzene ring by 44.16 (11)°. The chlorobenzoate anion bridges ZnII cations, forming polymeric chains running along the c-axis direction. O-H...O hydrogen bonds between coordinating water molecules and carboxylate groups link adjacent chains into layers parallel to the bc plane.

Related literature

For structural functions and coordination relationships of the arylcarboxylate ion in transition metal complexes of benzoic acid derivatives, see: Nadzhafov et al. (1981[Nadzhafov, G. N., Shnulin, A. N. & Mamedov, Kh. S. (1981). Zh. Strukt. Khim. 22, 124-128.]); Shnulin et al. (1981[Shnulin, A. N., Nadzhafov, G. N., Amiraslanov, I. R., Usubaliev, B. T. & Mamedov, Kh. S. (1981). Koord. Khim. 7, 1409-1416.]). For applications of transition metal complexes with biochemical molecules in biological systems, see: Antolini et al. (1982[Antolini, L., Battaglia, L. P., Corradi, A. B., Marcotrigiano, G., Menabue, L., Pellacani, G. C. & Saladini, M. (1982). Inorg. Chem. 21, 1391-1395.]). Some benzoic acid derivatives, such as 4-aminobenzoic acid, have been extensively reported in coordination chemistry, as bifunctional organic ligands, due to the varieties of their coordination modes, see: Chen & Chen (2002[Chen, H. J. & Chen, X. M. (2002). Inorg. Chim. Acta, 329, 13-21.]); Amiraslanov et al. (1979[Amiraslanov, I. R., Mamedov, Kh. S., Movsumov, E. M., Musaev, F. N. & Nadzhafov, G. N. (1979). Zh. Strukt. Khim. 20, 1075-1080.]); Hauptmann et al. (2000[Hauptmann, R., Kondo, M. & Kitagawa, S. (2000). Z. Kristallogr. New Cryst. Struct. 215, 169-172.]). For related structures, see: Aydin et al. (2012[Aydin, Ö., Çaylak Delibas, N., Necefoglu, H. & Hökelek, T. (2012). Acta Cryst. E68, m601-m602.]); Hökelek et al. (2009[Hökelek, T., Yilmaz, F., Tercan, B., Sertçelik, M. & Necefoglu, H. (2009). Acta Cryst. E65, m1399-m1400.], 2010a[Hökelek, T., Dal, H., Tercan, B., Çimen, E. & Necefoglu, H. (2010a). Acta Cryst. E66, m734-m735.],b[Hökelek, T., Dal, H., Tercan, B., Çimen, E. & Necefoglu, H. (2010b). Acta Cryst. E66, m953-m954.], 2011[Hökelek, T., Tercan, B., Sahin, E., Aktas, V. & Necefoglu, H. (2011). Acta Cryst. E67, m1057-m1058.]); Necefoglu et al. (2011[Necefoglu, H., Özbek, F. E., Öztürk, V., Tercan, B. & Hökelek, T. (2011). Acta Cryst. E67, m1003-m1004.]); Zaman et al. (2012[Zaman, I. G., Çaylak Delibas, N., Necefoglu, H. & Hökelek, T. (2012). Acta Cryst. E68, m257-m258.]). For bond-length data, see: Allen et al. (1987[Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1-19.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn(C7H4ClO2)2(H2O)]

  • Mr = 394.51

  • Monoclinic, C 2/c

  • a = 31.8553 (8) Å

  • b = 6.1786 (2) Å

  • c = 7.5117 (3) Å

  • [beta] = 96.554 (2)°

  • V = 1468.80 (8) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 2.06 mm-1

  • T = 294 K

  • 0.35 × 0.25 × 0.15 mm

Data collection
  • Bruker SMART BREEZE CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2012[Bruker (2012). APEX2, SAINT and SADABS. Bruker AXS Inc. Madison, Wisconsin, USA.]) Tmin = 0.545, Tmax = 0.735

  • 13582 measured reflections

  • 1825 independent reflections

  • 1727 reflections with I > 2[sigma](I)

  • Rint = 0.036

Refinement
  • R[F2 > 2[sigma](F2)] = 0.026

  • wR(F2) = 0.069

  • S = 1.12

  • 1825 reflections

  • 105 parameters

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

  • [Delta][rho]max = 0.43 e Å-3

  • [Delta][rho]min = -0.35 e Å-3

Table 1
Selected bond lengths (Å)

Zn1-O1 2.1779 (12)
Zn1-O2 1.9493 (11)
Zn1-O3 1.9664 (19)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H31...O1i 0.77 (2) 1.89 (2) 2.6421 (17) 168 (2)
Symmetry code: (i) [x, -y+1, z+{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2012[Bruker (2012). APEX2, SAINT and SADABS. Bruker AXS Inc. Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2012[Bruker (2012). APEX2, SAINT and SADABS. Bruker AXS Inc. Madison, Wisconsin, USA.]); data reduction: SAINT; 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: ORTEP-3 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]) and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5711 ).


Acknowledgements

The authors acknowledge the Aksaray University, Science and Technology Application and Research Center, Aksaray, Turkey, for the use of the Bruker SMART BREEZE CCD diffractometer (purchased under grant No. 2010K120480 of the State of Planning Organization).

References

Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1-19.
Amiraslanov, I. R., Mamedov, Kh. S., Movsumov, E. M., Musaev, F. N. & Nadzhafov, G. N. (1979). Zh. Strukt. Khim. 20, 1075-1080.  [ChemPort]
Antolini, L., Battaglia, L. P., Corradi, A. B., Marcotrigiano, G., Menabue, L., Pellacani, G. C. & Saladini, M. (1982). Inorg. Chem. 21, 1391-1395.  [CrossRef] [ChemPort] [Web of Science]
Aydin, Ö., Çaylak Delibas, N., Necefoglu, H. & Hökelek, T. (2012). Acta Cryst. E68, m601-m602.  [CSD] [CrossRef] [IUCr Journals]
Bruker (2012). APEX2, SAINT and SADABS. Bruker AXS Inc. Madison, Wisconsin, USA.
Chen, H. J. & Chen, X. M. (2002). Inorg. Chim. Acta, 329, 13-21.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Hauptmann, R., Kondo, M. & Kitagawa, S. (2000). Z. Kristallogr. New Cryst. Struct. 215, 169-172.  [ChemPort]
Hökelek, T., Dal, H., Tercan, B., Çimen, E. & Necefoglu, H. (2010a). Acta Cryst. E66, m734-m735.  [CSD] [CrossRef] [IUCr Journals]
Hökelek, T., Dal, H., Tercan, B., Çimen, E. & Necefoglu, H. (2010b). Acta Cryst. E66, m953-m954.  [CSD] [CrossRef] [IUCr Journals]
Hökelek, T., Tercan, B., Sahin, E., Aktas, V. & Necefoglu, H. (2011). Acta Cryst. E67, m1057-m1058.  [CrossRef] [IUCr Journals]
Hökelek, T., Yilmaz, F., Tercan, B., Sertçelik, M. & Necefoglu, H. (2009). Acta Cryst. E65, m1399-m1400.  [CrossRef] [IUCr Journals]
Nadzhafov, G. N., Shnulin, A. N. & Mamedov, Kh. S. (1981). Zh. Strukt. Khim. 22, 124-128.  [ChemPort]
Necefoglu, H., Özbek, F. E., Öztürk, V., Tercan, B. & Hökelek, T. (2011). Acta Cryst. E67, m1003-m1004.  [CSD] [CrossRef] [IUCr Journals]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Shnulin, A. N., Nadzhafov, G. N., Amiraslanov, I. R., Usubaliev, B. T. & Mamedov, Kh. S. (1981). Koord. Khim. 7, 1409-1416.  [ChemPort]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Zaman, I. G., Çaylak Delibas, N., Necefoglu, H. & Hökelek, T. (2012). Acta Cryst. E68, m257-m258.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m381-m382   [ doi:10.1107/S160053681301564X ]

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