Hydroxonium creatininium bis­(pyridine-2,6-dicarboxyl­ato-κ3O2,N,O6)cobaltate(II) trihydrate

Aghabozorg, H.; Derikvand, Z.; Attar Gharamaleki, J.; Yousefi, M.

doi:10.1107/S1600536809021837

Volume 65
Part 7
Pages m826-m827
July 2009

Received 19 May 2009
Accepted 9 June 2009
Online 27 June 2009

Key indicators
Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.003 Å
R = 0.045
wR = 0.097
Data-to-parameter ratio = 16.4
Details

Hydroxonium creatininium bis(pyridine-2,6-dicarboxylato-³O²,N,O⁶)cobaltate(II) trihydrate

Hossein Aghabozorg,^a ^* Zohreh Derikvand,^b Jafar Attar Gharamaleki ^c and Mohammad Yousefi ^d

^aFaculty of Chemistry, Islamic Azad University, North Tehran Branch, Tehran, Iran,^bDepartment of Chemistry, Faculty of Science, Islamic Azad University, Khorramabad Branch, Khorramabad, Iran,^cYoung Researchers Club, Islamic Azad University, North Tehran Branch, Tehran, Iran, and ^dDepartment of Chemistry, Islamic Azad University, Shahr-e-Rey Branch, Tehran, Iran
Correspondence e-mail: haghabozorg@yahoo.com

The title compound, (C₄H₈N₃O)(H₃O)[Co(C₇H₃NO₄)₂]·3H₂O, contains a protonated creatininium cation, a hydroxonium (H₃O)⁺ cation, a [Co(pydc)₂]^2- (pydcH₂ = pyridine-2,6-dicarboxylic acid) complex anion, and three uncoordinated water molecules. The Co^II atom is coordinated by four O and two N atoms from two pydc ligands in a distorted octahedral environment. The structure also contains three uncoordinated water molecules. Extensive intermolecular O-HO, N-HO and C-HO hydrogen bonds, [pi] - [pi] stacking interactions [centroid-centroid distances = 3.565 (14) and 3.425 (14) Å] and O [pi] interactions [Ocentroid distance = 3.480 (2) Å] connect the various components in the crystal structure.

Related literature

For related structures, see: Aghabozorg, Derikvand et al. (2008); Aghabozorg, Ramezanipour et al. (2008); Moghimi et al. (2004, 2005). For a review article on proton-transfer agents and their metal complexes, see: Aghabozorg, Manteghi et al. (2008). For the isotypic Ni compound, see: Attar Gharamaleki et al. (2009).

Experimental

Crystal data

(C₄H₈N₃O)(H₃O)[Co(C₇H₃NO₄)₂]·3H₂O
M_r = 576.34
Triclinic, $[P \overline 1]$
a = 8.0937 (10) Å
b = 10.7389 (13) Å
c = 13.5976 (17) Å
= 104.811 (2)°
= 90.267 (2)°
= 92.415 (1)°
V = 1141.4 (2) Å³
Z = 2
Mo K radiation
= 0.83 mm^-1
T = 120 K
0.18 × 0.12 × 0.09 mm

Data collection

Bruker SMART 1000 CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.889, T_max = 0.930
11652 measured reflections
5488 independent reflections
4149 reflections with I > 2(I)
R_int = 0.025

Refinement

R[F² > 2(F²)] = 0.045
wR(F²) = 0.097
S = 1.02
5488 reflections
335 parameters
H-atom parameters constrained
_max = 0.77 e Å^-3
_min = -0.45 e Å^-3

Table 1
Selected bond lengths (Å)

Co1-N1	2.029 (2)
Co1-N2	2.031 (2)
Co1-O8	2.1273 (18)
Co1-O4	2.1389 (18)
Co1-O5	2.1904 (18)
Co1-O1	2.2239 (19)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N3-H3AO1Wⁱ	0.88	1.86	2.716 (3)	164
N5-H5AO5	0.88	2.15	2.882 (3)	141
N5-H5BO3ⁱⁱ	0.88	1.96	2.764 (3)	152
O1W-H1O4ⁱⁱⁱ	0.85	1.95	2.782 (3)	166
O1W-H2O3W^iv	0.85	1.85	2.673 (3)	164
O2W-H3O4W^v	0.85	1.70	2.522 (3)	163
O2W-H4O6^vi	0.85	1.64	2.481 (3)	170
O2W-H5O2	0.85	1.71	2.537 (3)	164
O3W-H6O7ⁱⁱⁱ	0.85	1.93	2.778 (3)	172
O3W-H7O9^vii	0.85	2.22	2.948 (3)	144
O4W-H8O7^viii	0.85	1.84	2.680 (3)	169
O4W-H9O1	0.85	1.87	2.718 (3)	172
C3-H3BO9^vii	0.95	2.37	3.301 (3)	165
C4-H4AO8^ix	0.95	2.43	3.252 (3)	145
C18-H18CO7ⁱⁱⁱ	0.98	2.60	3.535 (4)	160
Symmetry codes: (i) -x, -y+1, -z+1; (ii) -x, -y+2, -z+1; (iii) x, y-1, z; (iv) x-1, y, z; (v) -x+1, -y+1, -z; (vi) x+1, y, z; (vii) -x+1, -y+1, -z+1; (viii) -x+1, -y+2, -z; (ix) -x+1, -y+2, -z+1.

Data collection: SMART (Bruker, 2007); cell refinement: SAINT-Plus (Bruker, 2007); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL and Mercury (Macrae et al., 2006); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2201 ).

References

Aghabozorg, H., Derikvand, Z., Olmstead, M. M. & Attar Gharamaleki, J. (2008). Acta Cryst. E64, m1234-m1235.
Aghabozorg, H., Manteghi, F. & Sheshmani, S. (2008). J. Iran. Chem. Soc. 5, 184-227.
Aghabozorg, H., Ramezanipour, F., Sleimannejad, J., Sharif, M. A., Shokrollahi, A., Shamsipur, M., Moghimi, A., Attar Gharamaleki, J., Lippolis, V. & Blake, A. (2008). Pol. J. Chem. 82, 487-507.
Attar Gharamaleki, J., Aghabozorg, H., Derikvand, Z. & Yousefi, M. (2009). Acta Cryst. E65, m824-m825.
Bruker (2007). SMART and SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.
Moghimi, A., Sharif, M. A. & Aghabozorg, H. (2004). Acta Cryst. E60, o1790-o1792.
Moghimi, A., Sharif, M. A., Shokrollahi, A., Shamsipur, M. & Aghabozorg, H. (2005). Z. Anorg. Allg. Chem. 631, 902-908.
Sheldrick, G. M. (1996). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

Hydroxonium creatininium bis(pyridine-2,6-dicarboxylato-3O2,N,O6)cobaltate(II) trihydrate