Diaqua-bis(pyridine-2-carboxyl-ato-κN,O)cobalt(II).

In the mol-ecule of the title compound, [Co(C(6)H(4)NO(2))(2)(H(2)O)(2)], the coordination environment around the Co(II) atom is distorted octahedral; two N and two O atoms of the pyridine-2-carboxylate ligands lie in the equatorial plane and the two water O atoms in the axial positions. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules, forming a supra-moleular network structure.

Related literature

For general background, see: Desiraju (1997 ▶); Braga et al. (1998 ▶); McCann et al. (1996 ▶); Wai et al. (1990 ▶); Yaghi et al. (1996 ▶); Min & Lee (2002 ▶); Maira et al. (2001 ▶). For bond-length data, see: Allen et al. (1987 ▶).

Experimental

Crystal data

[Co(C6H4NO2)2(H2O)2]

M = 339.17

Monoclinic,

a = 11.7401 (3) Å

b = 8.9994 (6) Å

c = 14.9211 (3) Å

β = 105.985 (2)°

V = 1515.52 (11) Å3

Z = 4

Mo Kα radiation

μ = 1.16 mm−1

T = 273 (2) K

0.24 × 0.18 × 0.08 mm

Data collection

Bruker APEXII area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.770, T max = 0.918

9384 measured reflections

2926 independent reflections

2065 reflections with I > 2σ(I)

R int = 0.042

Refinement

R[F 2 > 2σ(F 2)] = 0.060

wR(F 2) = 0.227

S = 1.07

2926 reflections

200 parameters

6 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.83 e Å−3

Δρmin = −0.62 e Å−3

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAINT (Siemens, 1996 ▶); 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/S1600536808010507/hk2450sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808010507/hk2450Isup2.hkl

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

[Co(C6H4NO2)2(H2O)2]	F000 = 692
Mr = 339.17	Dx = 1.486 Mg m−3
Monoclinic, P21/n	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 2863 reflections
a = 11.7401 (3) Å	θ = 2.6–23.8º
b = 8.9994 (6) Å	µ = 1.16 mm−1
c = 14.9211 (3) Å	T = 273 (2) K
β = 105.985 (2)º	Plate, pink
V = 1515.52 (11) Å3	0.24 × 0.18 × 0.08 mm
Z = 4

Bruker APEXII area-detector diffractometer	2926 independent reflections
Radiation source: fine-focus sealed tube	2065 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.042
T = 273(2) K	θmax = 26.0º
φ and ω scans	θmin = 2.0º
Absorption correction: multi-scan(SADABS; Sheldrick, 1996)	h = −14→14
Tmin = 0.770, Tmax = 0.918	k = −11→11
9384 measured reflections	l = −18→17

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)] = 0.060	H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.227	w = 1/[σ2(Fo2) + (0.152P)2 + 0.1958P] where P = (Fo2 + 2Fc2)/3
S = 1.07	(Δ/σ)max < 0.001
2926 reflections	Δρmax = 0.83 e Å−3
200 parameters	Δρmin = −0.62 e Å−3
6 restraints	Extinction correction: none
Primary atom site location: structure-invariant direct methods

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 > 2sigma(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
Co1	0.74558 (5)	0.85905 (7)	0.62775 (4)	0.0500 (3)
O1	0.8193 (3)	0.7460 (4)	0.7578 (2)	0.0528 (8)
H1A	0.7662	0.7036	0.7737	0.079*
H1B	0.8854 (17)	0.719 (5)	0.773 (3)	0.065 (16)*
O2	0.5921 (3)	0.8896 (4)	0.6792 (3)	0.0562 (9)
H2A	0.5826	0.8156	0.7083	0.084*
H2B	0.546 (3)	0.953 (3)	0.673 (3)	0.035 (12)*
O3	0.6510 (3)	0.9270 (3)	0.48901 (19)	0.0497 (8)
O4	0.5390 (3)	0.8577 (3)	0.3503 (2)	0.0560 (9)
O5	0.8183 (3)	1.0767 (4)	0.6673 (2)	0.0512 (8)
O6	0.9716 (3)	1.2287 (4)	0.6898 (3)	0.0724 (11)
N1	0.9333 (3)	0.8598 (4)	0.6113 (3)	0.0504 (9)
N2	0.6905 (3)	0.6452 (4)	0.5461 (2)	0.0406 (8)
C1	0.6032 (3)	0.8310 (5)	0.4295 (3)	0.0423 (9)
C2	0.6267 (3)	0.6693 (5)	0.4583 (3)	0.0392 (9)
C3	0.5838 (4)	0.5535 (5)	0.3968 (3)	0.0533 (11)
H3	0.5424	0.5722	0.3351	0.064*
C4	0.6040 (4)	0.4115 (6)	0.4293 (3)	0.0552 (11)
H4	0.5727	0.3319	0.3906	0.066*
C5	0.6700 (4)	0.3862 (5)	0.5184 (4)	0.0552 (12)
H5	0.6864	0.2897	0.5404	0.066*
C6	0.7120 (4)	0.5054 (5)	0.5755 (3)	0.0495 (10)
H6	0.7569	0.4880	0.6364	0.059*
C7	0.9224 (4)	1.1095 (5)	0.6665 (3)	0.0513 (11)
C8	0.9904 (4)	0.9869 (5)	0.6340 (3)	0.0489 (11)
C9	1.1060 (4)	1.0058 (7)	0.6312 (4)	0.0704 (15)
H9	1.1443	1.0961	0.6485	0.085*
C10	1.1635 (6)	0.8917 (7)	0.6029 (6)	0.091 (2)
H10	1.2403	0.9039	0.5983	0.109*
C11	1.1064 (6)	0.7581 (8)	0.5811 (6)	0.102 (2)
H11	1.1445	0.6768	0.5639	0.123*
C12	0.9906 (5)	0.7476 (6)	0.5856 (5)	0.0772 (17)
H12	0.9510	0.6578	0.5698	0.093*

	U11	U22	U33	U12	U13	U23
Co1	0.0509 (5)	0.0450 (5)	0.0472 (5)	−0.0007 (3)	0.0018 (3)	−0.0005 (2)
O1	0.0397 (16)	0.060 (2)	0.0502 (18)	0.0013 (15)	−0.0015 (13)	0.0150 (14)
O2	0.056 (2)	0.0450 (19)	0.070 (2)	0.0125 (16)	0.0209 (17)	0.0143 (16)
O3	0.0515 (17)	0.0412 (18)	0.0466 (17)	−0.0020 (13)	−0.0031 (13)	0.0045 (13)
O4	0.0550 (19)	0.052 (2)	0.0467 (18)	0.0079 (14)	−0.0106 (14)	0.0083 (13)
O5	0.0467 (17)	0.0448 (18)	0.0613 (19)	−0.0019 (14)	0.0135 (14)	−0.0096 (15)
O6	0.078 (2)	0.059 (2)	0.089 (3)	−0.0299 (19)	0.037 (2)	−0.031 (2)
N1	0.049 (2)	0.046 (2)	0.059 (2)	−0.0010 (17)	0.0189 (18)	−0.0046 (17)
N2	0.0418 (18)	0.037 (2)	0.0366 (18)	−0.0012 (14)	0.0011 (14)	0.0024 (13)
C1	0.0331 (19)	0.049 (2)	0.040 (2)	0.0023 (17)	0.0035 (16)	0.0025 (18)
C2	0.0334 (19)	0.041 (2)	0.039 (2)	−0.0012 (16)	0.0032 (15)	−0.0034 (17)
C3	0.051 (2)	0.053 (3)	0.046 (2)	0.005 (2)	−0.0033 (18)	−0.008 (2)
C4	0.056 (3)	0.044 (3)	0.061 (3)	0.002 (2)	0.008 (2)	−0.012 (2)
C5	0.064 (3)	0.041 (3)	0.064 (3)	0.001 (2)	0.023 (2)	−0.001 (2)
C6	0.057 (2)	0.044 (3)	0.044 (2)	0.001 (2)	0.0068 (19)	0.0031 (19)
C7	0.059 (3)	0.055 (3)	0.039 (2)	−0.011 (2)	0.0124 (19)	−0.0056 (19)
C8	0.050 (2)	0.055 (3)	0.042 (2)	0.006 (2)	0.0146 (18)	0.0039 (19)
C9	0.058 (3)	0.073 (4)	0.086 (4)	−0.008 (3)	0.027 (3)	−0.001 (3)
C10	0.069 (4)	0.085 (5)	0.134 (6)	−0.001 (4)	0.054 (4)	0.006 (4)
C11	0.085 (4)	0.079 (5)	0.165 (8)	0.016 (4)	0.074 (5)	−0.007 (5)
C12	0.076 (4)	0.052 (3)	0.114 (5)	−0.001 (3)	0.043 (3)	−0.012 (3)

Co1—O1	2.150 (3)	C1—C2	1.521 (6)
Co1—O2	2.162 (3)	C2—C3	1.389 (6)
Co1—O3	2.151 (3)	C3—C4	1.365 (7)
Co1—O5	2.153 (3)	C3—H3	0.9300
Co1—N1	2.284 (4)	C4—C5	1.361 (7)
Co1—N2	2.274 (3)	C4—H4	0.9300
O1—H1A	0.8200	C5—C6	1.374 (6)
O1—H1B	0.784 (18)	C5—H5	0.9300
O2—H2A	0.8200	C6—H6	0.9300
O2—H2B	0.771 (16)	C7—C8	1.517 (6)
O3—C1	1.255 (5)	C8—C9	1.380 (7)
O4—C1	1.238 (5)	C9—C10	1.359 (8)
O5—C7	1.261 (5)	C9—H9	0.9300
O6—C7	1.222 (5)	C10—C11	1.371 (9)
N1—C8	1.321 (6)	C10—H10	0.9300
N1—C12	1.327 (6)	C11—C12	1.383 (8)
N2—C6	1.334 (5)	C11—H11	0.9300
N2—C2	1.335 (5)	C12—H12	0.9300
O1—Co1—O2	84.68 (13)	N2—C2—C1	116.2 (3)
O1—Co1—O3	167.36 (12)	C3—C2—C1	121.8 (4)
O1—Co1—O5	98.78 (12)	C4—C3—C2	118.2 (4)
O2—Co1—O3	92.63 (13)	C4—C3—H3	120.9
O2—Co1—O5	95.35 (13)	C2—C3—H3	120.9
O3—Co1—O5	93.75 (12)	C5—C4—C3	120.0 (4)
O1—Co1—N1	86.44 (14)	C5—C4—H4	120.0
O2—Co1—N1	163.96 (15)	C3—C4—H4	120.0
O3—Co1—N1	98.83 (14)	C4—C5—C6	119.1 (5)
O5—Co1—N1	72.84 (12)	C4—C5—H5	120.5
O1—Co1—N2	93.86 (12)	C6—C5—H5	120.5
O2—Co1—N2	98.99 (14)	N2—C6—C5	122.0 (4)
O3—Co1—N2	74.33 (12)	N2—C6—H6	119.0
O5—Co1—N2	161.68 (13)	C5—C6—H6	119.0
N1—Co1—N2	94.91 (13)	O6—C7—O5	125.9 (5)
Co1—O1—H1A	109.5	O6—C7—C8	118.7 (4)
Co1—O1—H1B	122 (3)	O5—C7—C8	115.4 (4)
H1A—O1—H1B	123.0	N1—C8—C9	122.2 (4)
Co1—O2—H2A	109.5	N1—C8—C7	116.0 (4)
Co1—O2—H2B	132 (2)	C9—C8—C7	121.9 (5)
H2A—O2—H2B	118.0	C10—C9—C8	119.5 (5)
C1—O3—Co1	119.8 (3)	C10—C9—H9	120.2
C7—O5—Co1	121.5 (3)	C8—C9—H9	120.2
C8—N1—C12	118.1 (4)	C9—C10—C11	119.0 (5)
C8—N1—Co1	114.3 (3)	C9—C10—H10	120.5
C12—N1—Co1	127.5 (3)	C11—C10—H10	120.5
C6—N2—C2	118.6 (4)	C10—C11—C12	118.1 (6)
C6—N2—Co1	128.5 (3)	C10—C11—H11	120.9
C2—N2—Co1	112.8 (3)	C12—C11—H11	120.9
O4—C1—O3	125.3 (4)	N1—C12—C11	123.0 (6)
O4—C1—C2	118.2 (4)	N1—C12—H12	118.5
O3—C1—C2	116.6 (4)	C11—C12—H12	118.5
N2—C2—C3	122.0 (4)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1B···O4i	0.784 (18)	1.98 (3)	2.733 (4)	161 (4)
O1—H1A···O5ii	0.82	1.88	2.679 (4)	164
O2—H2B···O4iii	0.771 (16)	1.959 (16)	2.712 (4)	166 (3)
O2—H2A···O6ii	0.82	1.96	2.699 (5)	149

Co1—O1	2.150 (3)
Co1—O2	2.162 (3)
Co1—O3	2.151 (3)
Co1—O5	2.153 (3)
Co1—N1	2.284 (4)
Co1—N2	2.274 (3)

O1—Co1—O2	84.68 (13)
O1—Co1—O3	167.36 (12)
O1—Co1—O5	98.78 (12)
O2—Co1—O3	92.63 (13)
O2—Co1—O5	95.35 (13)
O3—Co1—O5	93.75 (12)
O1—Co1—N1	86.44 (14)
O2—Co1—N1	163.96 (15)
O3—Co1—N1	98.83 (14)
O5—Co1—N1	72.84 (12)
O1—Co1—N2	93.86 (12)
O2—Co1—N2	98.99 (14)
O3—Co1—N2	74.33 (12)
O5—Co1—N2	161.68 (13)
N1—Co1—N2	94.91 (13)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1B⋯O4i	0.784 (18)	1.98 (3)	2.733 (4)	161 (4)
O1—H1A⋯O5ii	0.82	1.88	2.679 (4)	164
O2—H2B⋯O4iii	0.771 (16)	1.959 (16)	2.712 (4)	166 (3)
O2—H2A⋯O6ii	0.82	1.96	2.699 (5)	149

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