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Volume 67 
Part 6 
Pages m715-m716  
June 2011  

Received 22 April 2011
Accepted 30 April 2011
Online 7 May 2011

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Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.006 Å
R = 0.038
wR = 0.094
Data-to-parameter ratio = 13.6
Details
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catena-Poly[[[bis(3-hydroxyadamantane-1-carboxylato-[kappa]O1)(3-hydroxyadamantane-1-carboxylic acid-[kappa]O1)zinc(II)]-[mu]2-4,4'-bipyridine] monohydrate]

Jin-Bei Shen,a Quan-Yin Guan,a Xiao-Ju Chena and Guo-Liang Zhaoa,b*

aCollege of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004, Zhejiang, People's Republic of China, and bZhejiang Normal University Xingzhi College, Jinhua, Zhejiang 321004, People's Republic of China
Correspondence e-mail: sky53@zjnu.cn

In the title coordination polymer, {[Zn(C11H15O3)2(C10H8N2)(C11H16O3)]·H2O}n, the ZnII ion is five coordinated by two N atoms from two 4,4'-bipyridine (4,4'-bpy) molecules and three O atoms from two 3-hydroxyadamantane-1-carboxylate anions (L) and one 3-hydroxyadamantane-1-carboxylic acid (HL) molecule. The resulting coordination polyhedron is a near regular ZnN2O3 trigonal bipyramid, with the N atoms in axial sites. The 4,4'-bpy molecules [dihedral angle between the aromatic rings = 17.2 (2)°] act as bridges, connecting the metal ions into an infinite polymeric chain propagating in [[\overline{1}]01]. O-H...O hydrogen bonds help to consolidate the packing.

Related literature

For background to adamantane-1-carboxylic acid complexes, see: Zhu et al. (2005[Zhu, Z.-L., Feng, Y.-L., Lin, H. & Chin, J. (2005). Rare Earth Soc. 23, 641-644.]); Milios et al. (2007[Milios, C. J., Inglis, R. & Bagai, R. (2007). Chem. Commun. 33, 3476-3478.]); Korlyukov et al. (2008[Korlyukov, A. A., Komissarov, E. A. & Antipin, M. Y. (2008). J. Mol. Struct. 875, 135-142.]).

[Scheme 1]

Experimental

Crystal data

  • [Zn(C11H15O3)2(C10H8N2)(C11H16O3)]·H2O

  • Mr = 826.27

  • Monoclinic, C c

  • a = 17.8778 (2) Å

  • b = 16.6364 (2) Å

  • c = 13.2655 (1) Å

  • [beta] = 92.642 (1)°

  • V = 3941.26 (7) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.69 mm-1

  • T = 296 K

  • 0.34 × 0.23 × 0.15 mm
Data collection

  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.826, Tmax = 0.904

  • 26431 measured reflections

  • 6904 independent reflections

  • 6188 reflections with I > 2[sigma](I)

  • Rint = 0.051
Refinement

  • R[F2 > 2[sigma](F2)] = 0.038

  • wR(F2) = 0.094

  • S = 1.04

  • 6904 reflections

  • 506 parameters

  • 4 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.28 e Å-3

  • [Delta][rho]min = -0.33 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 3423 Friedel pairs

  • Flack parameter: 0.202 (9)

Table 1
Selected bond lengths (Å)

Zn1-O2 2.016 (3)
Zn1-O8 2.036 (3)
Zn1-O4 2.065 (3)
Zn1-N2i 2.138 (3)
Zn1-N1 2.174 (4)
Symmetry code: (i) [x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}].

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O9-H9A...O1ii 0.82 2.05 2.872 (4) 178
O6-H6A...O3iii 0.82 2.00 2.812 (4) 169
O3-H3A...O9iv 0.82 1.99 2.790 (4) 165
O1W-H1WA...O6 0.85 2.19 3.013 (9) 163
O5-H5C...O7 0.85 1.67 2.447 (3) 151
O1W-H1WB...O7v 0.85 2.44 3.287 (9) 179
Symmetry codes: (ii) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]; (iii) [x, -y+1, z-{\script{1\over 2}}]; (iv) [x-{\script{1\over 2}}, y+{\script{1\over 2}}, z]; (v) [x, -y, z-{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2006[Bruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2006[Bruker (2006). APEX2 and SAINT. 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB5859 ).

References

Bruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Korlyukov, A. A., Komissarov, E. A. & Antipin, M. Y. (2008). J. Mol. Struct. 875, 135-142.  [ChemPort]
Milios, C. J., Inglis, R. & Bagai, R. (2007). Chem. Commun. 33, 3476-3478.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Zhu, Z.-L., Feng, Y.-L., Lin, H. & Chin, J. (2005). Rare Earth Soc. 23, 641-644.  [ChemPort]

Acta Cryst (2011). E67, m715-m716   [ doi:10.1107/S1600536811016424 ]

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