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Volume 69 
Part 11 
Pages m579-m580  
November 2013  

Received 24 September 2013
Accepted 26 September 2013
Online 2 October 2013

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.005 Å
Disorder in main residue
R = 0.049
wR = 0.135
Data-to-parameter ratio = 14.6
Details
Open access

Poly[([mu]3-5-tert-butyl­benzene-1,3-di­carboxyl­ato)di­pyridine­cobalt(II)]

aDepartment of Chemistry, Soongsil University, 369 Sangdo-Ro, Dongjak-Gu, Seoul 156-743, Republic of Korea
Correspondence e-mail: jaheon@ssu.ac.kr

In the title compound, [Co(C12H12O4)(C5H5N)2]n, the CoII cation is coordinated by four O atoms from three 5-tert-butyl­benzene-1,3-di­carboxyl­ate anions and two N atoms from pyridine mol­ecules in a distorted octa­hedral geometry. One carboxyl­ate group of the anionic ligand chelates a CoII cation while another carboxyl­ate group bridges two CoII cations, resulting in a polymeric layer parallel to (101). Weak C-H...O hydrogen bonds occur between adjacent polymeric layers. In the crystal, one of pyridine mol­ecules is equally disordered over two positions.

Related literature

For metal-organic frameworks composed of cobalt cations and 5-tert-butyl­benzene-1,3-di­carboxyl­ate ligands without additional bridging ligands, see: Chen et al. (2011[Chen, L.-J., Su, J.-B., Huang, R.-B., Lin, S., Yang, M.-X. & Huang, H. (2011). Dalton Trans. 40, 9731-9736.]); Du et al. (2009[Du, Z.-X., Wang, L.-Y. & Hou, H.-W. (2009). Z. Anorg. Allg. Chem. 635, 1659-1663.]); Ma et al. (2009[Ma, L.-F., Wang, L.-Y., Lu, D.-H., Batten, S. R. & Wang, J.-G. (2009). Cryst. Growth Des. 9, 1741-1749.]); Qin & Ju (2010[Qin, J.-H. & Ju, F.-Y. (2010). Chin. J. Struct. Chem. 29, 1108-1114.]). For a copper(II) complex with 5-tert-butylbenzene-1,3-­dicarboxyl­ate ligand, see: Li & Zhou (2010[Li, J.-R. & Zhou, H.-C. (2010). Nat. Chem. 2, 893-898.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C12H12O4)(C5H5N)2]

  • Mr = 437.34

  • Monoclinic, P 21 /n

  • a = 9.7357 (3) Å

  • b = 15.6699 (6) Å

  • c = 13.0764 (5) Å

  • [beta] = 94.791 (1)°

  • V = 1987.93 (12) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.90 mm-1

  • T = 173 K

  • 0.50 × 0.40 × 0.30 mm

Data collection
  • Bruker SMART APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.663, Tmax = 0.775

  • 12370 measured reflections

  • 4580 independent reflections

  • 3843 reflections with I > 2[sigma](I)

  • Rint = 0.021

Refinement
  • R[F2 > 2[sigma](F2)] = 0.049

  • wR(F2) = 0.135

  • S = 1.11

  • 4580 reflections

  • 314 parameters

  • 66 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 1.25 e Å-3

  • [Delta][rho]min = -0.64 e Å-3

Table 1
Selected bond lengths (Å)

Co1-O1 2.014 (2)
Co1-O2i 2.0608 (19)
Co1-O3ii 2.324 (2)
Co1-O4ii 2.103 (2)
Co1-N1 2.182 (3)
Co1-N2 2.195 (9)
Co1-N2A 2.117 (11)
Symmetry codes: (i) -x+1, -y, -z+1; (ii) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}].

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C14-H14...O4iii 0.95 2.55 3.287 (5) 134
Symmetry code: (iii) -x+1, -y, -z+2.

Data collection: SMART (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: CrystalMaker (CrystalMaker Software, 2013[CrystalMaker Software (2013). CrystalMaker. CrystalMaker Software Ltd, Yarnton, England.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5741 ).


Acknowledgements

This research was supported by the Ministry of Knowledge Economy (MKE) and the Korea Institute for Advancement in Technology (KIAT) through the Workforce Development Program in Strategic Technology.

References

Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, L.-J., Su, J.-B., Huang, R.-B., Lin, S., Yang, M.-X. & Huang, H. (2011). Dalton Trans. 40, 9731-9736.  [CSD] [CrossRef] [ChemPort] [PubMed]
CrystalMaker Software (2013). CrystalMaker. CrystalMaker Software Ltd, Yarnton, England.
Du, Z.-X., Wang, L.-Y. & Hou, H.-W. (2009). Z. Anorg. Allg. Chem. 635, 1659-1663.  [CSD] [CrossRef] [ChemPort]
Li, J.-R. & Zhou, H.-C. (2010). Nat. Chem. 2, 893-898.  [CSD] [CrossRef] [PubMed]
Ma, L.-F., Wang, L.-Y., Lu, D.-H., Batten, S. R. & Wang, J.-G. (2009). Cryst. Growth Des. 9, 1741-1749.  [CSD] [CrossRef] [ChemPort]
Qin, J.-H. & Ju, F.-Y. (2010). Chin. J. Struct. Chem. 29, 1108-1114.  [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m579-m580   [ doi:10.1107/S1600536813026640 ]

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