catena-Poly[[diaqua­cobalt(II)]bis­[μ-2-(4-carboxyl­atophen­yl)-4,4,5,5-tetra­methyl-4,5-dihydro-1H-imidazol-1-oxyl 3-oxide]]

Rong, R.; Gao, G.; Zhu, L.

doi:10.1107/S1600536811009925

Volume 67
Part 4
Page m488
April 2011

Received 28 February 2011
Accepted 16 March 2011
Online 26 March 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R = 0.070
wR = 0.169
Data-to-parameter ratio = 16.5
Details

catena-Poly[[diaquacobalt(II)]bis[-2-(4-carboxylatophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-1-oxyl 3-oxide]]

Rong Rong,^a Ge Gao ^b ^* and Lili Zhu ^c

^aDepartment of Chemistry, Key Laboratory of Medicinal Chemistry for Natural Resources, Ministry of Education, Yunnan University, Kunming 650091, People's Republic of China,^bOrdered Matter Science Research Center, Department of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China, and ^cSchool of Chemistry and Materials Science, Huaibei Normal University, Anhui 235000, People's Republic of China
Correspondence e-mail: chmsunbw@seu.edu.cn

In the title compound, [Co(C₁₄H₁₆N₂O₄)₂(H₂O)₂]_n, the Co^II atom, lying on an inversion center, is coordinated by six O atoms in a distorted octahedral geometry. The Co^II atoms are bridged by the nitronyl nitroxide ligands into a tape-like structure along the b axis. The tapes are further connected by O-HO hydrogen bonds, forming a layer parallel to the bc plane.

Related literature

For related structures, see: Caneschi et al. (1993); Luneau et al. (1998). For the synthesis of [Co(C₅H₉O₂)₂(H₂O)₂], see: Mehrotra & Bohra (1983). For the synthesis of 2-(4-carboxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-1-oxyl-3-oxide, see: Schiødt et al. (1996).

Experimental

Crystal data

[Co(C₁₄H₁₆N₂O₄)₂(H₂O)₂]
M_r = 647.54
Monoclinic, P 2₁ /c
a = 13.548 (3) Å
b = 9.2054 (18) Å
c = 12.549 (3) Å
= 115.17 (3)°
V = 1416.5 (5) Å³
Z = 2
Mo K radiation
= 0.67 mm^-1
T = 293 K
0.43 × 0.42 × 0.20 mm

Data collection

Rigaku SCXmini diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005) T_min = 0.240, T_max = 0.428
14419 measured reflections
3241 independent reflections
2050 reflections with I > 2(I)
R_int = 0.121

Refinement

R[F² > 2(F²)] = 0.070
wR(F²) = 0.169
S = 1.04
3241 reflections
196 parameters
H-atom parameters constrained
_max = 0.54 e Å^-3
_min = -0.54 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O5-H1O5O2ⁱ	0.87	2.31	2.736 (4)	111
O5-H2O5O2ⁱⁱ	0.85	2.40	2.886 (4)	117
Symmetry codes: (i) -x+1, -y-1, -z+2; (ii) $[x, -y-{\script{1\over 2}}, z+{\script{1\over 2}}]$ .

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IS2683 ).

References

Caneschi, A., Chiesi, P., David, L., Ferraro, F., Gatteschi, D. & Sessoli, R. (1993). Inorg. Chem. 32, 1445-1453.
Luneau, D., Romero, F. M. & Ziessel, R. (1998). Inorg. Chem. 37, 5078-5087.
Mehrotra, R. C. & Bohra, R. (1983). Metal Carboxylates, Academic Press: London.
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Schiødt, N. C., Fabrizi de Biani, F., Caneschi, A. & Gatteschi, D. (1996). Inorg. Chim. Acta, 248, 139-146.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds