catena-Poly[[[aqua-(pyridine-2,6-dicarboxyl-ato N-oxide-κO,O)cobalt(II)]-μ-1,3-di-4-pyridylpropane-κN:N'] dihydrate].

In the title compound, {[Co(C(7)H(3)NO(5))(C(13)H(14)N(2))(H(2)O)]·2H(2)O}(n), the Co(II) atom is coordinated by two O atoms from a pyridine-2,6-dicarboxyl-ate N-oxide ligand, two N atoms from two 1,3-di-4-pyridylpropane ligands and one water mol-ecule, and displays a distorted square-pyramidal coordination geometry. The 1,3-di-4-pyridylpropane ligands link the Co(II) atoms into an infinite zigzag chain parallel to [010]. The chains are further linked through O-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular network.

Related literature

For related literature on metal complexes with pyridine-2,6-dicarboxyl­ate N-oxide, see: Nathan et al. (1985 ▶); Wen et al. (2005 ▶, 2006 ▶); Wu et al. (2007 ▶). For related literature on metal complexes with 1,3-di-4-pyridylpropane, see: Konar et al. (2003 ▶); Lai & Tiekink (2004 ▶); Li et al. (2004 ▶).

Experimental

Crystal data

[Co(C7H3NO5)(C13H14N2)(H2O)]·2H2O

M = 492.34

Monoclinic,

a = 10.2712 (12) Å

b = 11.5251 (13) Å

c = 18.309 (2) Å

β = 90.521 (2)°

V = 2167.3 (4) Å3

Z = 4

Mo Kα radiation

μ = 0.84 mm−1

T = 296 (2) K

0.35 × 0.29 × 0.25 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.751, T max = 0.817

10818 measured reflections

3897 independent reflections

2170 reflections with I > 2σ(I)

R int = 0.064

Refinement

R[F 2 > 2σ(F 2)] = 0.059

wR(F 2) = 0.175

S = 1.00

3897 reflections

290 parameters

9 restraints

H-atom parameters constrained

Δρmax = 0.66 e Å−3

Δρmin = −0.40 e Å−3

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); 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: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808032741/hy2158sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808032741/hy2158Isup2.hkl

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

[Co(C7H3NO5)(C13H14N2)(H2O)]·2H2O	F(000) = 1020
Mr = 492.34	Dx = 1.509 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 5837 reflections
a = 10.2712 (12) Å	θ = 2.8–27.9°
b = 11.5251 (13) Å	µ = 0.84 mm−1
c = 18.309 (2) Å	T = 296 K
β = 90.521 (2)°	Block, colorless
V = 2167.3 (4) Å3	0.35 × 0.29 × 0.25 mm
Z = 4

Bruker SMART APEXII CCD area-detector diffractometer	3897 independent reflections
Radiation source: fine-focus sealed tube	2170 reflections with I > 2σ(I)
graphite	Rint = 0.064
φ and ω scans	θmax = 25.2°, θmin = 2.0°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −12→12
Tmin = 0.751, Tmax = 0.817	k = −13→13
10818 measured reflections	l = −20→21

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.059	H-atom parameters constrained
wR(F2) = 0.175	w = 1/[σ2(Fo2) + (0.0828P)2] where P = (Fo2 + 2Fc2)/3
S = 1.00	(Δ/σ)max < 0.001
3897 reflections	Δρmax = 0.66 e Å−3
290 parameters	Δρmin = −0.40 e Å−3
9 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0030 (8)

	x	y	z	Uiso*/Ueq
O4	0.3287 (4)	−0.0221 (4)	0.4108 (2)	0.0776 (13)
N3	0.2102 (4)	1.1756 (4)	0.1902 (2)	0.0519 (11)
C19	0.2965 (6)	1.0894 (5)	0.1927 (3)	0.0622 (16)
H19	0.3729	1.1009	0.2194	0.075*
C20	0.2794 (6)	0.9841 (5)	0.1583 (3)	0.0609 (15)
H20	0.3432	0.9272	0.1621	0.073*
C18	0.1003 (5)	1.1549 (5)	0.1514 (3)	0.0568 (15)
H18	0.0376	1.2129	0.1486	0.068*
C17	0.0769 (6)	1.0515 (5)	0.1159 (3)	0.0597 (15)
H17	−0.0007	1.0411	0.0902	0.072*
C16	0.1677 (5)	0.9631 (5)	0.1180 (3)	0.0565 (14)
C15	0.1470 (6)	0.8479 (5)	0.0794 (3)	0.0647 (16)
H15A	0.1842	0.8532	0.0310	0.078*
H15B	0.1948	0.7885	0.1059	0.078*
Co1	0.24328 (6)	0.32149 (5)	0.24652 (3)	0.0423 (3)
O5	0.2788 (4)	0.2215 (3)	0.32898 (19)	0.0565 (10)
N2	0.1568 (4)	0.4237 (4)	0.1728 (2)	0.0522 (11)
O2	0.2658 (5)	0.5550 (4)	0.4120 (2)	0.0892 (15)
O1	0.2384 (4)	0.4531 (3)	0.3113 (2)	0.0777 (13)
O3	0.4937 (4)	0.0354 (3)	0.3417 (2)	0.0761 (12)
C6	0.3381 (5)	0.3644 (5)	0.4174 (3)	0.0513 (14)
C12	0.1618 (6)	0.5381 (5)	0.0652 (3)	0.0593 (15)
H12	0.2043	0.5575	0.0223	0.071*
N1	0.3424 (4)	0.2545 (4)	0.3900 (2)	0.0494 (11)
C3	0.4691 (6)	0.1910 (6)	0.4901 (3)	0.0702 (18)
H3	0.5156	0.1326	0.5137	0.084*
C7	0.2755 (6)	0.4653 (5)	0.3766 (3)	0.0607 (15)
C2	0.4082 (5)	0.1683 (5)	0.4248 (3)	0.0496 (13)
C13	−0.0066 (6)	0.6897 (4)	0.0347 (3)	0.0660 (17)
H13A	−0.0981	0.6750	0.0252	0.079*
H13B	0.0381	0.6903	−0.0117	0.079*
C10	0.0487 (5)	0.5928 (5)	0.0824 (3)	0.0540 (14)
C1	0.4076 (6)	0.0499 (5)	0.3885 (3)	0.0559 (14)
C5	0.3971 (6)	0.3843 (5)	0.4831 (3)	0.0664 (16)
H5	0.3931	0.4585	0.5029	0.080*
C11	0.2145 (5)	0.4541 (5)	0.1107 (3)	0.0547 (14)
H11	0.2918	0.4180	0.0976	0.066*
C8	0.0451 (6)	0.4774 (5)	0.1890 (3)	0.0675 (17)
H8	0.0037	0.4577	0.2322	0.081*
C4	0.4619 (6)	0.2997 (6)	0.5211 (3)	0.0730 (18)
H4	0.4999	0.3150	0.5663	0.088*
C9	−0.0109 (6)	0.5589 (5)	0.1456 (3)	0.0653 (16)
H9	−0.0899	0.5918	0.1587	0.078*
C14	0.0088 (6)	0.8095 (4)	0.0717 (3)	0.0641 (17)
H14A	−0.0387	0.8667	0.0432	0.077*
H14B	−0.0299	0.8064	0.1198	0.077*
O1W	0.4465 (4)	0.3311 (4)	0.2130 (3)	0.0969 (16)
H1W	0.4767	0.3944	0.2011	0.145*
H2W	0.4891	0.3034	0.2471	0.145*
O2W	0.6417 (5)	0.2145 (5)	0.2840 (3)	0.1170 (19)
H3W	0.6669	0.1724	0.2494	0.175*
H4W	0.5887	0.1753	0.3084	0.175*
O3W	0.2003 (5)	0.7719 (5)	0.3494 (4)	0.141 (2)
H5W	0.2281	0.7061	0.3618	0.212*
H6W	0.2190	0.8220	0.3795	0.212*

	U11	U22	U33	U12	U13	U23
O4	0.089 (3)	0.053 (3)	0.091 (3)	−0.012 (2)	0.005 (2)	0.013 (2)
N3	0.058 (3)	0.044 (3)	0.053 (3)	0.005 (2)	−0.012 (2)	0.000 (2)
C19	0.074 (4)	0.043 (4)	0.069 (4)	0.008 (3)	−0.015 (3)	−0.002 (3)
C20	0.066 (4)	0.045 (4)	0.071 (4)	0.008 (3)	−0.010 (3)	−0.005 (3)
C18	0.061 (4)	0.038 (3)	0.071 (4)	0.006 (3)	−0.012 (3)	0.002 (3)
C17	0.070 (4)	0.038 (3)	0.071 (4)	−0.008 (3)	−0.014 (3)	−0.004 (3)
C16	0.067 (4)	0.043 (3)	0.059 (3)	0.003 (3)	−0.002 (3)	−0.003 (3)
C15	0.080 (4)	0.045 (4)	0.069 (4)	−0.005 (3)	−0.003 (3)	−0.004 (3)
Co1	0.0543 (5)	0.0245 (4)	0.0478 (4)	0.0021 (3)	−0.0085 (3)	0.0006 (3)
O5	0.075 (3)	0.040 (2)	0.054 (2)	0.0000 (19)	−0.0150 (19)	−0.0013 (18)
N2	0.059 (3)	0.042 (3)	0.056 (3)	0.001 (2)	−0.002 (2)	−0.003 (2)
O2	0.133 (4)	0.046 (3)	0.088 (3)	0.019 (3)	−0.033 (3)	−0.024 (2)
O1	0.121 (4)	0.039 (2)	0.072 (3)	0.010 (2)	−0.026 (3)	−0.005 (2)
O3	0.074 (3)	0.048 (3)	0.107 (3)	0.005 (2)	0.022 (3)	−0.008 (2)
C6	0.055 (3)	0.040 (3)	0.059 (3)	0.007 (3)	−0.009 (3)	−0.008 (3)
C12	0.080 (4)	0.048 (4)	0.050 (3)	−0.005 (3)	−0.001 (3)	0.002 (3)
N1	0.055 (3)	0.040 (3)	0.053 (3)	0.001 (2)	−0.007 (2)	0.002 (2)
C3	0.076 (4)	0.066 (5)	0.068 (4)	0.010 (3)	−0.018 (3)	0.010 (3)
C7	0.071 (4)	0.045 (4)	0.066 (4)	0.009 (3)	−0.011 (3)	−0.013 (3)
C2	0.050 (3)	0.044 (3)	0.055 (3)	0.004 (3)	−0.001 (3)	0.004 (3)
C13	0.087 (4)	0.042 (3)	0.069 (4)	0.003 (3)	−0.027 (3)	0.003 (3)
C10	0.059 (3)	0.037 (3)	0.066 (4)	0.001 (3)	−0.013 (3)	−0.003 (3)
C1	0.064 (4)	0.041 (4)	0.062 (4)	0.007 (3)	−0.013 (3)	0.008 (3)
C5	0.086 (4)	0.047 (4)	0.066 (4)	0.006 (3)	−0.014 (3)	−0.008 (3)
C11	0.058 (3)	0.048 (4)	0.058 (3)	0.008 (3)	0.000 (3)	−0.003 (3)
C8	0.068 (4)	0.065 (4)	0.070 (4)	0.015 (3)	0.008 (3)	0.009 (3)
C4	0.088 (5)	0.065 (4)	0.066 (4)	−0.001 (4)	−0.029 (3)	−0.004 (3)
C9	0.068 (4)	0.056 (4)	0.072 (4)	0.015 (3)	0.006 (3)	0.012 (3)
C14	0.078 (4)	0.033 (3)	0.081 (4)	−0.004 (3)	−0.027 (3)	0.005 (3)
O1W	0.074 (3)	0.070 (3)	0.147 (4)	−0.008 (2)	−0.002 (3)	0.047 (3)
O2W	0.116 (4)	0.098 (4)	0.136 (5)	−0.009 (3)	−0.017 (3)	0.034 (4)
O3W	0.115 (4)	0.075 (4)	0.233 (7)	−0.015 (3)	−0.046 (4)	0.024 (4)

O4—C1	1.232 (7)	C12—C10	1.361 (7)
N3—C19	1.332 (6)	C12—C11	1.384 (7)
N3—C18	1.348 (6)	C12—H12	0.9300
N3—Co1i	2.000 (4)	N1—C2	1.358 (6)
C19—C20	1.378 (7)	C3—C2	1.370 (7)
C19—H19	0.9300	C3—C4	1.377 (8)
C20—C16	1.379 (7)	C3—H3	0.9300
C20—H20	0.9300	C2—C1	1.518 (7)
C18—C17	1.378 (7)	C13—C10	1.524 (7)
C18—H18	0.9300	C13—C14	1.545 (7)
C17—C16	1.381 (7)	C13—H13A	0.9700
C17—H17	0.9300	C13—H13B	0.9700
C16—C15	1.519 (7)	C10—C9	1.371 (7)
C15—C14	1.492 (7)	C5—C4	1.368 (8)
C15—H15A	0.9700	C5—H5	0.9300
C15—H15B	0.9700	C11—H11	0.9300
Co1—O1	1.927 (4)	C8—C9	1.354 (7)
Co1—O5	1.932 (3)	C8—H8	0.9300
Co1—N2	1.994 (4)	C4—H4	0.9300
Co1—N3ii	2.000 (4)	C9—H9	0.9300
Co1—O1W	2.184 (4)	C14—H14A	0.9700
O5—N1	1.344 (5)	C14—H14B	0.9700
N2—C11	1.334 (6)	O1W—H1W	0.8200
N2—C8	1.339 (6)	O1W—H2W	0.8200
O2—C7	1.224 (6)	O2W—H3W	0.8400
O1—C7	1.259 (6)	O2W—H4W	0.8400
O3—C1	1.248 (7)	O3W—H6W	0.8200
C6—C5	1.361 (7)	O3W—H5W	0.8400
C6—N1	1.363 (6)	O3W—H6W	0.8200
C6—C7	1.522 (7)
C19—N3—C18	116.1 (5)	C2—C3—C4	120.5 (6)
C19—N3—Co1i	119.9 (4)	C2—C3—H3	119.7
C18—N3—Co1i	123.9 (4)	C4—C3—H3	119.7
N3—C19—C20	123.9 (5)	O2—C7—O1	124.8 (6)
N3—C19—H19	118.0	O2—C7—C6	115.0 (5)
C20—C19—H19	118.0	O1—C7—C6	120.2 (5)
C16—C20—C19	120.1 (5)	N1—C2—C3	119.4 (5)
C16—C20—H20	119.9	N1—C2—C1	116.9 (4)
C19—C20—H20	119.9	C3—C2—C1	123.7 (5)
N3—C18—C17	122.9 (5)	C10—C13—C14	111.6 (4)
N3—C18—H18	118.5	C10—C13—H13A	109.3
C17—C18—H18	118.5	C14—C13—H13A	109.3
C18—C17—C16	120.6 (5)	C10—C13—H13B	109.3
C18—C17—H17	119.7	C14—C13—H13B	109.3
C16—C17—H17	119.7	H13A—C13—H13B	108.0
C20—C16—C17	116.3 (5)	C12—C10—C9	116.8 (5)
C20—C16—C15	121.0 (5)	C12—C10—C13	121.4 (5)
C17—C16—C15	122.7 (5)	C9—C10—C13	121.8 (5)
C14—C15—C16	115.6 (5)	O4—C1—O3	127.6 (6)
C14—C15—H15A	108	O4—C1—C2	117.4 (6)
C16—C15—H15A	108	O3—C1—C2	114.9 (5)
C14—C15—H15B	108	C6—C5—C4	122.7 (6)
C16—C15—H15B	108	C6—C5—H5	118.7
H15A—C15—H15B	107	C4—C5—H5	118.7
O1—Co1—O5	89.67 (16)	N2—C11—C12	121.5 (5)
O1—Co1—N2	86.43 (16)	N2—C11—H11	119.3
O5—Co1—N2	164.02 (17)	C12—C11—H11	119.3
O1—Co1—N3ii	166.97 (19)	N2—C8—C9	123.4 (6)
O5—Co1—N3ii	86.08 (16)	N2—C8—H8	118.3
N2—Co1—N3ii	94.30 (16)	C9—C8—H8	118.3
O1—Co1—O1W	99.39 (19)	C5—C4—C3	117.8 (5)
O5—Co1—O1W	94.32 (16)	C5—C4—H4	121.1
N2—Co1—O1W	101.61 (17)	C3—C4—H4	121.1
N3ii—Co1—O1W	93.21 (18)	C8—C9—C10	120.2 (6)
N1—O5—Co1	124.5 (3)	C8—C9—H9	119.9
C11—N2—C8	117.0 (5)	C10—C9—H9	119.9
C11—N2—Co1	122.3 (4)	C15—C14—C13	113.6 (5)
C8—N2—Co1	120.1 (4)	C15—C14—H14A	108.9
C7—O1—Co1	131.5 (4)	C13—C14—H14A	108.9
C5—C6—N1	117.8 (5)	C15—C14—H14B	108.9
C5—C6—C7	119.1 (5)	C13—C14—H14B	108.9
N1—C6—C7	123.0 (4)	H14A—C14—H14B	107.7
C10—C12—C11	121.0 (5)	Co1—O1W—H1W	118.8
C10—C12—H12	119.5	Co1—O1W—H2W	105.7
C11—C12—H12	119.5	H1W—O1W—H2W	110
O5—N1—C2	114.7 (4)	H3W—O2W—H4W	107
O5—N1—C6	123.5 (4)	H5W—O3W—H6W	112
C2—N1—C6	121.7 (4)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1W···O3iii	0.82	1.83	2.635 (5)	165
O1W—H2W···O2W	0.82	1.99	2.732 (6)	150
O2W—H3W···O3Wiv	0.84	2.55	3.018 (9)	117
O2W—H4W···O3	0.84	1.98	2.778 (6)	157
O3W—H5W···O2	0.84	2.01	2.828 (7)	166
O3W—H6W···O4i	0.82	2.19	2.935 (7)	150
C3—H3···O4v	0.93	2.46	3.364 (8)	165
C9—H9···O5vi	0.93	2.46	3.366 (7)	164
C15—H15A···O2vii	0.97	2.57	3.492 (7)	159
C18—H18···O3Wvi	0.93	2.55	3.369 (7)	149

Table 1

Selected bond lengths (Å)

Co1—O1	1.927 (4)
Co1—O5	1.932 (3)
Co1—N2	1.994 (4)
Co1—N3i	2.000 (4)
Co1—O1W	2.184 (4)

Symmetry code: (i) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1W⋯O3ii	0.82	1.83	2.635 (5)	165
O1W—H2W⋯O2W	0.82	1.99	2.732 (6)	150
O2W—H3W⋯O3Wiii	0.84	2.55	3.018 (9)	117
O2W—H4W⋯O3	0.84	1.98	2.778 (6)	157
O3W—H5W⋯O2	0.84	2.01	2.828 (7)	166
O3W—H6W⋯O4iv	0.82	2.19	2.935 (7)	150
C3—H3⋯O4v	0.93	2.46	3.364 (8)	165
C9—H9⋯O5vi	0.93	2.46	3.366 (7)	164
C15—H15A⋯O2vii	0.97	2.57	3.492 (7)	159
C18—H18⋯O3Wvi	0.93	2.55	3.369 (7)	149

Symmetry codes: (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) .