catena-Poly[[(pyridine-κN)copper(II)]-μ(3)-pyridine-2,6-dicarboxylato-κO:O,N,O:O].

In the title compound, [Cu(C(7)H(3)NO(4))(C(5)H(5)N)](n), the Cu(II) atom is in a slightly distorted octa-hedral coordination environment. Each Cu(II) atom is bound to two N atoms and one O atom of the pyridine-dicarboxyl-ate (PDA) ligand in a tridentate manner, one N atom of the pyridine mol-ecule and two bridging carboxyl-ate O atoms of adjacent PDA ligands, leading to a linear one-dimensional chain running along the c axis. These chains are further assembled via weak C-H⋯O and π-π inter-actions into a three-dimensional supra-molecular network structure. The centroid-centroid distance between the π-π inter-acting pyridine rings is 3.9104 (13) Å. The two N atoms are trans to each other with respect to Cu.

Related literature

For background information on coordination polymers, see: Kitagawa et al. (2004 ▶); Kirillov et al. (2008 ▶); Hoskins & Robson (1990 ▶); Eddaoudi et al. (2001 ▶). For related polymeric structures of PDA complexes, see, for example: Zhao et al. (2003 ▶); Choi et al. (2003 ▶); Ghosh et al. (2004 ▶); Xie et al. (2004 ▶). For related structures of Cu complexes, see: Uçar et al. (2007 ▶); Manna et al. (2007 ▶); Gao et al. (2006 ▶).

Experimental

Crystal data

[Cu(C7H3NO4)(C5H5N)]

M = 307.74

Monoclinic,

a = 7.8042 (9) Å

b = 13.6152 (17) Å

c = 10.0667 (12) Å

β = 91.687 (4)°

V = 1069.2 (2) Å3

Z = 4

Mo Kα radiation

μ = 2.06 mm−1

T = 100 K

0.21 × 0.13 × 0.08 mm

Data collection

Bruker APEXII CCD area-detector diffractometer

Absorption correction: multi-scan (; Bruker, 2007 ▶) T min = 0.671, T max = 0.848

3530 measured reflections

981 independent reflections

859 reflections with I > 2σ(I)

R int = 0.036

Refinement

R[F 2 > 2σ(F 2)] = 0.029

wR(F 2) = 0.074

S = 1.10

981 reflections

89 parameters

H-atom parameters not refined

Δρmax = 0.41 e Å−3

Δρmin = −0.60 e Å−3

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809005212/is2384sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809005212/is2384Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Cu(C7H3NO4)(C5H5N)]	F(000) = 620
Mr = 307.74	Dx = 1.912 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 1607 reflections
a = 7.8042 (9) Å	θ = 3.0–25.3°
b = 13.6152 (17) Å	µ = 2.06 mm−1
c = 10.0667 (12) Å	T = 100 K
β = 91.687 (4)°	Needle, blue
V = 1069.2 (2) Å3	0.21 × 0.13 × 0.08 mm
Z = 4

Bruker APEXII CCD area-detector diffractometer	981 independent reflections
Radiation source: fine-focus sealed tube	859 reflections with I > 2σ(I)
graphite	Rint = 0.036
φ and ω scans	θmax = 25.3°, θmin = 3.0°
Absorption correction: multi-scan (SADABS; Bruker, 2007)	h = −9→8
Tmin = 0.671, Tmax = 0.848	k = −16→16
3530 measured reflections	l = −12→11

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.029	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.074	H-atom parameters not refined
S = 1.10	w = 1/[σ2(Fo2) + (0.0347P)2 + 1.5139P] where P = (Fo2 + 2Fc2)/3
981 reflections	(Δ/σ)max < 0.001
89 parameters	Δρmax = 0.41 e Å−3
0 restraints	Δρmin = −0.60 e Å−3

Experimental. All H atoms were added in their calculated positions and were treated using appropriate riding models.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	Uiso*/Ueq
Cu1	0.5000	0.06463 (3)	0.2500	0.01055 (18)
O1	0.3461 (2)	0.04164 (13)	0.08928 (18)	0.0119 (4)
O2	0.2652 (2)	−0.07906 (13)	−0.05100 (19)	0.0137 (4)
N1	0.5000	0.2074 (2)	0.2500	0.0099 (7)
N2	0.5000	−0.0746 (2)	0.2500	0.0096 (7)
C1	0.3334 (3)	−0.04888 (19)	0.0526 (3)	0.0111 (6)
C2	0.4161 (3)	−0.1210 (2)	0.1514 (3)	0.0100 (6)
C3	0.4135 (3)	−0.2221 (2)	0.1484 (3)	0.0120 (6)
H3	0.3542	−0.2564	0.0789	0.014*
C4	0.5000	−0.2728 (3)	0.2500	0.0130 (8)
H4	0.5000	−0.3426	0.2500	0.016*
C5	0.5748 (3)	0.2583 (2)	0.3507 (3)	0.0124 (6)
H5	0.6286	0.2230	0.4218	0.015*
C6	0.5765 (4)	0.3594 (2)	0.3549 (3)	0.0154 (6)
H6	0.6290	0.3931	0.4281	0.018*
C7	0.5000	0.4112 (3)	0.2500	0.0159 (9)
H7	0.5000	0.4810	0.2500	0.019*

	U11	U22	U33	U12	U13	U23
Cu1	0.0144 (3)	0.0059 (3)	0.0109 (3)	0.000	−0.00649 (18)	0.000
O1	0.0151 (10)	0.0074 (10)	0.0129 (10)	−0.0014 (8)	−0.0066 (8)	0.0000 (8)
O2	0.0173 (10)	0.0117 (11)	0.0118 (10)	−0.0026 (8)	−0.0068 (8)	−0.0017 (8)
N1	0.0095 (16)	0.0095 (17)	0.0108 (17)	0.000	−0.0009 (13)	0.000
N2	0.0085 (16)	0.0102 (17)	0.0100 (16)	0.000	−0.0009 (13)	0.000
C1	0.0114 (14)	0.0106 (14)	0.0114 (15)	−0.0017 (11)	−0.0007 (11)	0.0004 (11)
C2	0.0080 (13)	0.0125 (15)	0.0095 (14)	−0.0020 (11)	−0.0011 (11)	−0.0023 (11)
C3	0.0122 (14)	0.0131 (15)	0.0108 (14)	−0.0006 (11)	−0.0019 (11)	−0.0018 (11)
C4	0.014 (2)	0.009 (2)	0.016 (2)	0.000	0.0001 (16)	0.000
C5	0.0124 (14)	0.0138 (15)	0.0110 (15)	0.0001 (11)	−0.0012 (11)	0.0007 (11)
C6	0.0163 (15)	0.0136 (15)	0.0163 (16)	−0.0035 (12)	0.0025 (12)	−0.0042 (12)
C7	0.016 (2)	0.009 (2)	0.023 (2)	0.000	0.0055 (17)	0.000

Cu1—N2	1.896 (3)	C2—C3	1.378 (4)
Cu1—N1	1.944 (3)	C3—C4	1.392 (3)
Cu1—O1	2.0110 (18)	C3—H3	0.9500
Cu1—O1i	2.0110 (18)	C4—C3i	1.392 (3)
O1—C1	1.290 (3)	C4—H4	0.9500
O2—C1	1.228 (3)	C5—C6	1.378 (4)
N1—C5i	1.347 (3)	C5—H5	0.9500
N1—C5	1.347 (3)	C6—C7	1.390 (3)
N2—C2	1.332 (3)	C6—H6	0.9500
N2—C2i	1.332 (3)	C7—C6i	1.390 (3)
C1—C2	1.527 (4)	C7—H7	0.9500
N2—Cu1—N1	180.0	N2—C2—C1	111.7 (2)
N2—Cu1—O1	81.05 (5)	C3—C2—C1	128.5 (2)
N1—Cu1—O1	98.95 (5)	C2—C3—C4	118.2 (3)
N2—Cu1—O1i	81.05 (5)	C2—C3—H3	120.9
N1—Cu1—O1i	98.95 (5)	C4—C3—H3	120.9
O1—Cu1—O1i	162.10 (10)	C3—C4—C3i	120.6 (4)
C1—O1—Cu1	114.71 (16)	C3—C4—H4	119.7
C5i—N1—C5	118.1 (3)	C3i—C4—H4	119.7
C5i—N1—Cu1	120.97 (16)	N1—C5—C6	122.8 (3)
C5—N1—Cu1	120.96 (16)	N1—C5—H5	118.6
C2—N2—C2i	123.4 (3)	C6—C5—H5	118.6
C2—N2—Cu1	118.28 (16)	C5—C6—C7	118.7 (3)
C2i—N2—Cu1	118.28 (16)	C5—C6—H6	120.7
O2—C1—O1	126.2 (2)	C7—C6—H6	120.7
O2—C1—C2	120.2 (2)	C6i—C7—C6	119.0 (4)
O1—C1—C2	113.6 (2)	C6i—C7—H7	120.5
N2—C2—C3	119.8 (3)	C6—C7—H7	120.5
N2—Cu1—O1—C1	−6.98 (18)	Cu1—N2—C2—C3	−179.96 (18)
N1—Cu1—O1—C1	173.02 (18)	C2i—N2—C2—C1	−179.7 (2)
O1i—Cu1—O1—C1	−6.98 (18)	Cu1—N2—C2—C1	0.3 (2)
O1—Cu1—N1—C5i	−6.84 (14)	O2—C1—C2—N2	172.9 (2)
O1i—Cu1—N1—C5i	173.16 (14)	O1—C1—C2—N2	−6.2 (3)
O1—Cu1—N1—C5	173.16 (14)	O2—C1—C2—C3	−6.8 (4)
O1i—Cu1—N1—C5	−6.84 (14)	O1—C1—C2—C3	174.1 (3)
O1—Cu1—N2—C2	3.29 (14)	N2—C2—C3—C4	−0.1 (4)
O1i—Cu1—N2—C2	−176.71 (14)	C1—C2—C3—C4	179.6 (2)
O1—Cu1—N2—C2i	−176.71 (14)	C2—C3—C4—C3i	0.03 (18)
O1i—Cu1—N2—C2i	3.29 (14)	C5i—N1—C5—C6	0.47 (19)
Cu1—O1—C1—O2	−170.2 (2)	Cu1—N1—C5—C6	−179.53 (19)
Cu1—O1—C1—C2	8.8 (3)	N1—C5—C6—C7	−0.9 (4)
C2i—N2—C2—C3	0.04 (18)	C5—C6—C7—C6i	0.44 (18)

D—H···A	D—H	H···A	D···A	D—H···A
C3—H3···O2ii	0.95	2.44	3.187 (3)	135
C5—H5···O1i	0.95	2.48	3.070 (3)	120
C6—H6···O1iii	0.95	2.48	3.394 (3)	162

Table 1

Selected bond lengths (Å)

Cu1—N2	1.896 (3)
Cu1—N1	1.944 (3)
Cu1—O1	2.0110 (18)
Cu1—O1i	2.0110 (18)

Symmetry code: (i) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C3—H3⋯O2ii	0.95	2.44	3.187 (3)	135
C5—H5⋯O1i	0.95	2.48	3.070 (3)	120
C6—H6⋯O1iii	0.95	2.48	3.394 (3)	162

Symmetry codes: (i) ; (ii) ; (iii) .