catena-Poly[[[aqua­copper(II)]-bis­[μ-N,N′-bis­(pyridin-4-yl)isophthalamide]-[aqua­copper(II)]-di-μ-sulfato] dimethyl­formamide disolvate]

Zhang, E.-P.; Wang, L.-P.; Wang, Y.-F.

doi:10.1107/S1600536813003413

Volume 69
Part 3
Pages m150-m151
March 2013

Received 28 January 2013
Accepted 4 February 2013
Online 16 February 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R = 0.052
wR = 0.124
Data-to-parameter ratio = 16.5
Details

catena-Poly[[[aquacopper(II)]-bis[-N,N'-bis(pyridin-4-yl)isophthalamide]-[aquacopper(II)]-di--sulfato] dimethylformamide disolvate]

Er-Peng Zhang,^a ^* Li-Ping Wang ^b and Yu-Fei Wang ^b

^aHenan Center for Disease Control and Prevention, Zhengzhou 450016, People's Republic of China, and ^bCollege of Chemical and Food Engineering, ZhongZhou University, Zhengzhou 450044, People's Republic of China
Correspondence e-mail: erpengzhang@163.com

In the title coordination polymer, {[Cu(SO₄)(C₁₈H₁₄N₄O₂)(H₂O)]·C₃H₇NO}_n, the Cu^II ion is coordinated by two N atoms of two briding N,N'-bis(pyridin-4-yl)isophthalamide ligands, two O atoms of two bridging SO₄^2- anions and a water molecule, giving a distorted CuN₂O₃ square-pyramidal geometry. The whole repeating molecular unit is generated by inversion symmetry. This leads to the formation of a looped-chain one-dimensional coordination polymer propagating along [110]. The dimethylformamide (DMF) molecules are linked to the chains via O-HO hydrogen bonds. The chains are linked via N-HO hydrogen bonds, forming two-dimensional networks parallel to (001). There are also a number of C-HO interactions present and a parallel slipped [pi] - [pi] interaction. The latter involves inversion-related pyridine rings with a centroid-centroid distance of 3.594 (2) Å [normal distance = 3.3338 (13) and slippage = 1.341 Å]. These interactions lead to the formation of a three-dimensional structure.

Related literature

For background to metal complexes with a N,N'-bis-(4-pyridyl)isophthalamide ligand, see: Adarsh et al. (2009); Gong et al. (2010, 2011); Kim et al. (2011).

Experimental

Crystal data

[Cu(SO₄)(C₁₈H₁₄N₄O₂)(H₂O)]·C₃H₇NO
M_r = 569.06
Triclinic, $[P \overline 1]$
a = 10.389 (2) Å
b = 11.092 (1) Å
c = 12.105 (2) Å
= 63.47 (3)°
= 79.75 (2)°
= 71.08 (3)°
V = 1179.8 (4) Å³
Z = 2
Mo K radiation
= 1.07 mm^-1
T = 293 K
0.28 × 0.24 × 0.20 mm

Data collection

Rigaku Saturn 724 diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.753, T_max = 0.814
14785 measured reflections
5581 independent reflections
4622 reflections with I > 2(I)
R_int = 0.039

Refinement

R[F² > 2(F²)] = 0.052
wR(F²) = 0.124
S = 1.07
5581 reflections
339 parameters
4 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.44 e Å^-3
_min = -0.48 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N3-H3AO2ⁱ	0.86 (3)	2.03 (3)	2.867 (3)	164 (3)
N4-H4AO3ⁱ	0.87 (3)	2.25 (3)	3.103 (4)	168 (3)
O5-H5AO8ⁱⁱ	0.82 (3)	1.81 (3)	2.626 (4)	179 (4)
O5-H5BO2	0.81 (3)	1.90 (3)	2.684 (3)	164 (4)
C4-H4O8	0.93	2.45	3.325 (4)	157
C18-H18O6ⁱⁱⁱ	0.93	2.55	3.277 (4)	136
C19-H19O4^iv	0.93	2.47	3.286 (4)	146
C20-H20CO3^v	0.96	2.58	3.226 (6)	125
Symmetry codes: (i) x, y-1, z; (ii) -x+1, -y+2, -z+1; (iii) -x, -y+1, -z+1; (iv) x, y-1, z+1; (v) -x, -y+3, -z+1.

Data collection: CrystalClear (Rigaku/MSC, 2006); 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: publCIF (Westrip, 2010).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SU2555 ).

Acknowledgements

The authors are grateful to the Henan Center for Disease Control and Prevention for financial support and thank Professor Hong-Wei Hou of Zhengzhou University for his help.

References

Adarsh, N. N., Kumar, D. K. & Dastidar, P. (2009). CrystEngComm, 11, 792-802.
Gong, Y., Zhou, Y. C., Li, J. H., Cao, R. & Qin, J. B. (2010). Dalton Trans. 39, 9923-9928.
Gong, Y., Zhou, Y. C., Liu, T. F., Lu, J., Proserpioc, D. M. & Cao, R. (2011). Chem. Commun. 47, 5982-5984.
Kim, K., Park, S., Park, K. M. & Lee, S. S. (2011). Cryst. Growth Des. 11, 4059-4067.
Rigaku/MSC (2006). CrystalClear. Rigaku/MSC, The Woodlands, Texas, USA, and Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.

metal-organic compounds