Diaqua­(2,9-dimethyl-1,10-phenanthroline-κ2N,N′)(4-hydroxy­benzoato-κ2O,O′)cobalt(II) nitrate dihydrate

Zhai, C.; Yan, F.; Zhao, P.

doi:10.1107/S1600536808038117

Volume 64
Part 12
Pages m1591-m1592
December 2008

Received 28 October 2008
Accepted 16 November 2008
Online 22 November 2008

Key indicators
Single-crystal X-ray study
T = 291 K
Mean (C-C) = 0.003 Å
R = 0.029
wR = 0.081
Data-to-parameter ratio = 13.7
Details

Diaqua(2,9-dimethyl-1,10-phenanthroline-²N,N')(4-hydroxybenzoato-²O,O')cobalt(II) nitrate dihydrate

Cuiping Zhai,^a Fengmei Yan ^b and Peizheng Zhao ^c ^*

^aCollege of Chemistry and Chemical Engineering, Henan University, Kaifeng 475001, People's Republic of China,^bDepartment of Chemistry and Chemical Engineering, Huanghuai University, Zhumadian 463000, People's Republic of China, and ^cCollege of Chemistry and Environmental Science, Henan Normal University, Xinxiang 453007, People's Republic of China
Correspondence e-mail: pz_zhao@hotmail.com

In the title compound, [Co(C₇H₅O₃)(C₁₄H₁₂N₂)(H₂O)₂]NO₃·2H₂O, the Co^II ion is six-coordinated by two N atoms of a 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand, two carboxylate O atoms of one 4-hydroxybenzoate anion and two O atoms of two water molecules, in a distorted octahedral environment; the two water molecules occupy the apical positions. In the crystal structure, the ionic units and water molecules are linked through O-HO hydrogen bonds, leading to the formation of a three-dimensional network. In addition, [pi] - [pi] interactions between a pyridine ring of the dmphen ligand and the benzene ring of the hydroxybenzoate anion [centroid-centroid separation = 3.6861 (3) Å] are observed.

Related literature

For related structures, see: Xuan et al. (2007); Xuan & Zhao (2007a,b).

Experimental

Crystal data

[Co(C₇H₅O₃)(C₁₄H₁₂N₂)(H₂O)₂]NO₃·2H₂O
M_r = 538.37
Monoclinic, P 2₁ /c
a = 9.8001 (8) Å
b = 22.2638 (19) Å
c = 10.8676 (9) Å
= 94.602 (1)°
V = 2363.5 (3) Å³
Z = 4
Mo K radiation
= 0.79 mm^-1
T = 291 (2) K
0.35 × 0.25 × 0.14 mm

Data collection

Buker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 1997) T_min = 0.771, T_max = 0.899
17391 measured reflections
4385 independent reflections
3689 reflections with I > 2(I)
R_int = 0.024

Refinement

R[F² > 2(F²)] = 0.029
wR(F²) = 0.081
S = 1.01
4385 reflections
319 parameters
H-atom parameters constrained
_max = 0.36 e Å^-3
_min = -0.24 e Å^-3

Table 1
Selected bond lengths (Å)

Co1-O5	2.0685 (14)
Co1-O4	2.1187 (14)
Co1-N1	2.1213 (15)
Co1-N2	2.1357 (15)
Co1-O1	2.1425 (13)
Co1-O2	2.2311 (13)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O10-H8WO6	0.83	2.26	2.960 (3)	142
O9-H5WO6	0.83	2.09	2.904 (3)	169
O9-H6WO7ⁱ	0.83	2.09	2.888 (3)	161
O10-H7WO8ⁱⁱ	0.83	2.01	2.829 (3)	169
O5-H4WO10	0.81	1.93	2.720 (2)	167
O4-H2WO2ⁱⁱⁱ	0.83	2.01	2.846 (2)	180
O5-H3WO1^iv	0.82	2.05	2.826 (2)	157
O4-H1WO9^v	0.82	1.96	2.758 (2)	164
O3-H3O8^vi	0.82	2.57	3.133 (3)	127
O3-H3O7^vi	0.82	2.07	2.861 (3)	164
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) -x, -y+1, -z+1; (iii) -x+1, -y+1, -z+2; (iv) -x, -y+1, -z+2; (v) x, y, z+1; (vi) $[x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ .

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; 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: publCIF (Westrip, 2008).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CI2703 ).

Acknowledgements

Financial support from the Science Fund of Henan Province for Distinguished Young Scholars (grant No. 07410051005) is gratefully acknowledged.

References

Bruker (1997). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Westrip, S. P. (2008). publCIF. In preparation.
Xuan, X. & Zhao, P. (2007a). Acta Cryst. E63, m2856.
Xuan, X. & Zhao, P. (2007b). Acta Cryst. E63, m3009.
Xuan, X.-P., Zhao, P.-Z. & Tang, Q.-H. (2007). Acta Cryst. E63, m2405.

metal-organic compounds

Diaqua(2,9-dimethyl-1,10-phenanthroline-2N,N')(4-hydroxybenzoato-2O,O')cobalt(II) nitrate dihydrate