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Volume 64 
Part 4 
Pages m564-m565  
April 2008  

Received 24 February 2008
Accepted 9 March 2008
Online 20 March 2008


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Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.002 Å
R = 0.038
wR = 0.103
Data-to-parameter ratio = 29.3
Details

4-(4-Pyridyl)pyridinium bis(pyridine-2,6-dicarboxylato)chromium(III) tetrahydrate

Janet Soleimannejad,a* Hossein Aghabozorgb and Shabnam Hooshmanda

aDepartment of Chemistry, Ilam University, Ilam, Iran, and bFaculty of Chemistry, Tarbiat Moallem University, Tehran, Iran
Correspondence e-mail: janet_soleimannejad@yahoo.com

The title compound, (C10H9N2)[Cr(C7H3NO4)2]·4H2O or (4,4'-bipyH)[Cr(pydc)2]·4H2O (where 4,4'-bipy is 4,4'-bipyridine and pydcH2 is pyridine-2,6-dicarboxylic acid), was synthesized by the reaction of chromium(III) chloride hexahydrate with pyridine-2,6-dicarboxylic acid and 4,4'-bipyridine in a 1:2:4 molar ratio in aqueous solution. This compound is composed of an anionic complex, [Cr(pydc)2]-, protonated 4,4'-bipyridine as a counter-ion, (4,4'-bipyH)+, and four uncoordinated water molecules. The anion is a six-coordinate complex with a distorted octahedral geometry around the CrIII atom, formed by two tridentate pyridine-2,6-dicarboxylate, pydc2-, groups. Intermolecular O-H...O, N-H...O and C-H...O hydrogen bonds, and C-O...[pi] stacking interactions (with distances of 3.3390 (13) and 3.4575 (13) Å) connect the various components into a supramolecular structure.

Related literature

For related literature, see: Aghabozorg, Attar Gharamaleki, Ghadermazi et al. (2007[Aghabozorg, H., Attar Gharamaleki, J., Ghadermazi, M., Ghasemikhah, P. & Soleimannejad, J. (2007). Acta Cryst. E63, m1803-m1804.]); Aghabozorg, Attar Gharamaleki, Ghasemikhah et al. (2007[Aghabozorg, H., Attar Gharamaleki, J., Ghasemikhah, P., Ghadermazi, M. & Soleimannejad, J. (2007). Acta Cryst. E63, m1710-m1711.]); Soleimannejad et al. (2007[Soleimannejad, J., Aghabozorg, H., Hooshmand, S. & Adams, H. (2007). Acta Cryst. E63, m3089-m3090.]).

[Scheme 1]

Experimental

Crystal data

  • (C10H9N2)[Cr(C7H3NO4)2]·4H2O

  • Mr = 611.46

  • Triclinic, [P \overline 1]

  • a = 9.3785 (19) Å

  • b = 9.4106 (19) Å

  • c = 14.542 (3) Å

  • [alpha] = 84.71 (3)°

  • [beta] = 89.78 (3)°

  • [gamma] = 87.25 (3)°

  • V = 1276.5 (4) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.52 mm-1

  • T = 150 (2) K

  • 0.32 × 0.28 × 0.16 mm
Data collection

  • Bruker SMART APEXII diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.851, Tmax = 0.921

  • 31765 measured reflections

  • 10833 independent reflections

  • 8883 reflections with I > 2[sigma](I)

  • Rint = 0.026
Refinement

  • R[F2 > 2[sigma](F2)] = 0.038

  • wR(F2) = 0.102

  • S = 1.05

  • 10833 reflections

  • 370 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.60 e Å-3

  • [Delta][rho]min = -0.57 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N4-H4A...O11i 0.88 1.82 2.6736 (14) 164
O9-H9B...O1 0.85 1.95 2.7944 (15) 173
O9-H9A...O10ii 0.85 1.98 2.8336 (16) 176
O10-H10B...O6 0.85 1.86 2.7035 (16) 172
O10-H10A...N3 0.85 1.94 2.7610 (15) 162
O11-H11A...O10iii 0.85 1.87 2.7132 (15) 172
O11-H11B...O3 0.85 1.95 2.7282 (16) 152
O12-H12B...O4 0.85 2.14 2.9569 (16) 160
O12-H12A...O7iv 0.85 2.21 3.0284 (16) 162
C3-H3...O8v 0.95 2.39 3.1688 (16) 139
C5-H5...O5vi 0.95 2.50 3.1737 (16) 128
C10-H10...O12vii 0.95 2.58 3.2867 (16) 132
C11-H11...O9viii 0.95 2.58 3.2271 (17) 126
C15-H15...O7ix 0.95 2.39 3.3002 (17) 160
C16-H16...O9x 0.95 2.49 3.4235 (18) 169
C20-H20...O2xi 0.95 2.51 3.0576 (16) 117
C20-H20...O11xii 0.95 2.45 3.2615 (17) 143
C24-H24...O6 0.95 2.56 3.3634 (17) 143
Symmetry codes: (i) x, y+1, z+1; (ii) x-1, y, z; (iii) x, y-1, z; (iv) x+1, y, z; (v) -x, -y+1, -z; (vi) -x+1, -y+1, -z; (vii) -x+1, -y+1, -z+1; (viii) -x, -y+1, -z+1; (ix) x+1, y+1, z; (x) -x+1, -y+2, -z+1; (xi) x+1, y, z+1; (xii) -x+2, -y+1, -z+1.

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2. 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: OM2216 ).

References

Aghabozorg, H., Attar Gharamaleki, J., Ghadermazi, M., Ghasemikhah, P. & Soleimannejad, J. (2007). Acta Cryst. E63, m1803-m1804.  [CrossRef] [details]
Aghabozorg, H., Attar Gharamaleki, J., Ghasemikhah, P., Ghadermazi, M. & Soleimannejad, J. (2007). Acta Cryst. E63, m1710-m1711.  [CrossRef] [details]
Bruker (2007). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Soleimannejad, J., Aghabozorg, H., Hooshmand, S. & Adams, H. (2007). Acta Cryst. E63, m3089-m3090.  [CrossRef] [details]

Acta Cryst (2008). E64, m564-m565   [ doi:10.1107/S1600536808006594 ]

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