trans-Diaqua-bis-[5-carb-oxy-2-(3-pyrid-yl)-1H-imidazole-4-carboxyl-ato-κN,O]cobalt(II).

In the title complex, [Co(C(10)H(6)N(3)O(4))(2)(H(2)O)(2)], the Co(II) atom is located on an inversion centre and displays a distorted octa-hedral coordination geometry defined by two N,O-bidentate ligands in the equatorial plane and two water mol-ecules in the axial positions. The conformation is stabilized by intra-molecular O-H⋯O hydrogen bonds. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains, which are further connected by inter-molecular O-H⋯O and O-H⋯N hydrogen-bonding inter-actions, forming a two-dimensional supra-molecular network parallel to (110).

Related literature

For general background to the design and synthesis of coordination polymers based on 1H-imidazole-4,5-dicarb­oxy­lic acid, see: Gu et al. (2010 ▶); Wang et al. (2010 ▶). For related complexes with 5-carb­oxy-2-(3-pyrid­yl)-1H-imidazole-4-carboxyl­ate, see: Chen (2008 ▶); Liu et al. (2009 ▶); Jing et al. (2010 ▶, 2011 ▶); Zhou et al. (2011 ▶).

Experimental

Crystal data

[Co(C10H6N3O4)2(H2O)2]

M = 559.32

Triclinic,

a = 7.0240 (9) Å

b = 8.8770 (12) Å

c = 9.3240 (12) Å

α = 81.598 (2)°

β = 83.290 (2)°

γ = 67.755 (2)°

V = 531.12 (12) Å3

Z = 1

Mo Kα radiation

μ = 0.88 mm−1

T = 298 K

0.32 × 0.28 × 0.26 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2005 ▶) T min = 0.765, T max = 0.803

2936 measured reflections

2052 independent reflections

1589 reflections with I > 2σ(I)

R int = 0.017

Refinement

R[F 2 > 2σ(F 2)] = 0.044

wR(F 2) = 0.104

S = 1.06

2052 reflections

170 parameters

H-atom parameters constrained

Δρmax = 0.30 e Å−3

Δρmin = −0.33 e Å−3

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAINT (Bruker, 2005 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536811029618/rz2627sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811029618/rz2627Isup2.hkl

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

[Co(C10H6N3O4)2(H2O)2]	Z = 1
Mr = 559.32	F(000) = 285
Triclinic, P1	Dx = 1.749 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.0240 (9) Å	Cell parameters from 860 reflections
b = 8.8770 (12) Å	θ = 2.2–24.9°
c = 9.3240 (12) Å	µ = 0.88 mm−1
α = 81.598 (2)°	T = 298 K
β = 83.290 (2)°	Block, brown
γ = 67.755 (2)°	0.32 × 0.28 × 0.26 mm
V = 531.12 (12) Å3

Bruker SMART APEXII CCD area-detector diffractometer	2052 independent reflections
Radiation source: fine-focus sealed tube	1589 reflections with I > 2σ(I)
graphite	Rint = 0.017
phi and ω scans	θmax = 26.0°, θmin = 2.2°
Absorption correction: multi-scan (SADABS; Bruker, 2005)	h = −8→8
Tmin = 0.765, Tmax = 0.803	k = −10→6
2936 measured reflections	l = −10→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)] = 0.044	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.104	H-atom parameters constrained
S = 1.06	w = 1/[σ2(Fo2) + (0.0385P)2 + 0.3865P] where P = (Fo2 + 2Fc2)/3
2052 reflections	(Δ/σ)max < 0.001
170 parameters	Δρmax = 0.30 e Å−3
0 restraints	Δρmin = −0.33 e Å−3

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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	1.0000	0.0000	0.5000	0.0352 (2)
O3	0.5734 (4)	0.6730 (3)	0.6242 (2)	0.0470 (6)
H3	0.6370	0.6154	0.5601	0.071*
N2	0.6548 (4)	0.2945 (3)	0.8556 (2)	0.0313 (6)
H2	0.5996	0.3198	0.9404	0.038*
O1	0.9299 (4)	0.2412 (3)	0.4017 (2)	0.0432 (6)
N1	0.8176 (4)	0.1439 (3)	0.6778 (2)	0.0310 (6)
O2	0.7771 (4)	0.5056 (3)	0.4308 (2)	0.0463 (6)
O4	0.4586 (4)	0.6330 (3)	0.8526 (2)	0.0511 (7)
C3	0.6630 (5)	0.4031 (4)	0.7370 (3)	0.0309 (7)
C5	0.7482 (5)	0.1401 (4)	0.8172 (3)	0.0295 (7)
O5	0.7336 (3)	−0.0027 (3)	0.4303 (2)	0.0456 (6)
H5A	0.6363	0.0901	0.4178	0.055*
H5B	0.7239	−0.0620	0.3698	0.055*
C4	0.5565 (5)	0.5820 (4)	0.7409 (3)	0.0359 (8)
N3	0.7778 (4)	−0.1290 (3)	1.1669 (3)	0.0395 (7)
C1	0.8292 (5)	0.3538 (4)	0.4769 (3)	0.0358 (8)
C10	0.7591 (5)	−0.0006 (4)	1.0681 (3)	0.0357 (7)
H10	0.7395	0.0988	1.1006	0.043*
C2	0.7669 (5)	0.3071 (4)	0.6286 (3)	0.0307 (7)
C6	0.7672 (5)	−0.0064 (4)	0.9188 (3)	0.0302 (7)
C9	0.8085 (5)	−0.2721 (4)	1.1191 (3)	0.0408 (8)
H9	0.8238	−0.3634	1.1865	0.049*
C8	0.8181 (5)	−0.2887 (4)	0.9732 (3)	0.0413 (8)
H8	0.8411	−0.3901	0.9436	0.050*
C7	0.7934 (5)	−0.1542 (4)	0.8716 (3)	0.0381 (8)
H7	0.7943	−0.1628	0.7732	0.046*

	U11	U22	U33	U12	U13	U23
Co1	0.0425 (4)	0.0304 (4)	0.0199 (3)	0.0005 (3)	0.0020 (2)	−0.0042 (2)
O3	0.0634 (17)	0.0283 (12)	0.0362 (13)	−0.0031 (12)	0.0034 (12)	−0.0062 (10)
N2	0.0357 (15)	0.0312 (14)	0.0193 (12)	−0.0042 (12)	0.0043 (10)	−0.0056 (10)
O1	0.0519 (15)	0.0365 (13)	0.0219 (11)	0.0020 (11)	0.0086 (10)	−0.0030 (10)
N1	0.0381 (15)	0.0277 (13)	0.0184 (12)	−0.0038 (12)	0.0022 (10)	−0.0016 (10)
O2	0.0629 (16)	0.0325 (13)	0.0277 (12)	−0.0056 (12)	0.0065 (11)	0.0050 (10)
O4	0.0706 (18)	0.0352 (13)	0.0320 (13)	0.0002 (12)	0.0022 (12)	−0.0142 (10)
C3	0.0337 (17)	0.0270 (16)	0.0239 (15)	−0.0026 (13)	0.0012 (12)	−0.0043 (12)
C5	0.0319 (17)	0.0280 (16)	0.0217 (14)	−0.0035 (13)	0.0014 (12)	−0.0047 (12)
O5	0.0465 (14)	0.0443 (14)	0.0339 (12)	−0.0005 (11)	−0.0039 (10)	−0.0109 (10)
C4	0.0436 (19)	0.0300 (17)	0.0261 (16)	−0.0045 (15)	−0.0011 (14)	−0.0043 (14)
N3	0.0473 (17)	0.0373 (16)	0.0261 (13)	−0.0089 (13)	0.0000 (12)	0.0001 (12)
C1	0.0409 (19)	0.0346 (18)	0.0198 (15)	−0.0019 (15)	0.0016 (13)	−0.0014 (13)
C10	0.0412 (19)	0.0343 (18)	0.0261 (15)	−0.0083 (15)	0.0008 (13)	−0.0044 (13)
C2	0.0357 (18)	0.0269 (16)	0.0217 (14)	−0.0036 (14)	0.0010 (12)	−0.0026 (12)
C6	0.0311 (17)	0.0298 (16)	0.0227 (14)	−0.0055 (13)	0.0047 (12)	−0.0025 (12)
C9	0.043 (2)	0.0353 (18)	0.0373 (18)	−0.0102 (16)	−0.0024 (15)	0.0064 (15)
C8	0.050 (2)	0.0316 (18)	0.0390 (19)	−0.0113 (16)	0.0023 (15)	−0.0070 (15)
C7	0.044 (2)	0.0421 (19)	0.0241 (15)	−0.0118 (16)	0.0048 (14)	−0.0074 (14)

Co1—O5i	2.061 (2)	C3—C2	1.374 (4)
Co1—O5	2.061 (2)	C3—C4	1.481 (4)
Co1—O1	2.098 (2)	C5—C6	1.465 (4)
Co1—O1i	2.098 (2)	O5—H5A	0.8500
Co1—N1	2.215 (2)	O5—H5B	0.8499
Co1—N1i	2.215 (2)	N3—C10	1.332 (4)
O3—C4	1.279 (4)	N3—C9	1.339 (4)
O3—H3	0.8200	C1—C2	1.479 (4)
N2—C5	1.358 (4)	C10—C6	1.394 (4)
N2—C3	1.368 (4)	C10—H10	0.9300
N2—H2	0.8600	C6—C7	1.384 (4)
O1—C1	1.243 (4)	C9—C8	1.381 (4)
N1—C5	1.334 (3)	C9—H9	0.9300
N1—C2	1.374 (4)	C8—C7	1.380 (4)
O2—C1	1.276 (4)	C8—H8	0.9300
O4—C4	1.223 (4)	C7—H7	0.9300
O5i—Co1—O5	180.0	Co1—O5—H5A	115.6
O5i—Co1—O1	89.88 (10)	Co1—O5—H5B	127.2
O5—Co1—O1	90.12 (10)	H5A—O5—H5B	107.7
O5i—Co1—O1i	90.12 (10)	O4—C4—O3	124.5 (3)
O5—Co1—O1i	89.88 (10)	O4—C4—C3	119.0 (3)
O1—Co1—O1i	180.0	O3—C4—C3	116.5 (3)
O5i—Co1—N1	90.05 (9)	C10—N3—C9	117.7 (3)
O5—Co1—N1	89.95 (9)	O1—C1—O2	124.0 (3)
O1—Co1—N1	78.08 (8)	O1—C1—C2	117.3 (3)
O1i—Co1—N1	101.92 (8)	O2—C1—C2	118.7 (3)
O5i—Co1—N1i	89.95 (9)	N3—C10—C6	123.8 (3)
O5—Co1—N1i	90.05 (9)	N3—C10—H10	118.1
O1—Co1—N1i	101.92 (8)	C6—C10—H10	118.1
O1i—Co1—N1i	78.08 (8)	N1—C2—C3	110.8 (2)
N1—Co1—N1i	180.00 (7)	N1—C2—C1	119.0 (3)
C4—O3—H3	109.5	C3—C2—C1	130.2 (3)
C5—N2—C3	108.6 (2)	C7—C6—C10	117.7 (3)
C5—N2—H2	125.7	C7—C6—C5	121.9 (3)
C3—N2—H2	125.7	C10—C6—C5	120.4 (3)
C1—O1—Co1	117.58 (19)	N3—C9—C8	122.3 (3)
C5—N1—C2	105.3 (2)	N3—C9—H9	118.9
C5—N1—Co1	146.4 (2)	C8—C9—H9	118.9
C2—N1—Co1	107.94 (17)	C7—C8—C9	119.7 (3)
N2—C3—C2	104.8 (3)	C7—C8—H8	120.1
N2—C3—C4	121.4 (3)	C9—C8—H8	120.1
C2—C3—C4	133.6 (3)	C8—C7—C6	118.7 (3)
N1—C5—N2	110.5 (2)	C8—C7—H7	120.6
N1—C5—C6	126.5 (3)	C6—C7—H7	120.6
N2—C5—C6	123.0 (2)
O5i—Co1—O1—C1	−88.7 (3)	Co1—O1—C1—C2	−0.4 (4)
O5—Co1—O1—C1	91.3 (3)	C9—N3—C10—C6	0.8 (5)
N1—Co1—O1—C1	1.4 (2)	C5—N1—C2—C3	−1.2 (4)
N1i—Co1—O1—C1	−178.6 (2)	Co1—N1—C2—C3	−176.6 (2)
O5i—Co1—N1—C5	−84.2 (4)	C5—N1—C2—C1	178.0 (3)
O5—Co1—N1—C5	95.8 (4)	Co1—N1—C2—C1	2.6 (3)
O1—Co1—N1—C5	−174.0 (4)	N2—C3—C2—N1	1.3 (4)
O1i—Co1—N1—C5	6.0 (4)	C4—C3—C2—N1	−172.9 (3)
O5i—Co1—N1—C2	87.8 (2)	N2—C3—C2—C1	−177.8 (3)
O5—Co1—N1—C2	−92.2 (2)	C4—C3—C2—C1	8.0 (6)
O1—Co1—N1—C2	−2.0 (2)	O1—C1—C2—N1	−1.7 (5)
O1i—Co1—N1—C2	178.0 (2)	O2—C1—C2—N1	178.3 (3)
C5—N2—C3—C2	−0.9 (3)	O1—C1—C2—C3	177.3 (3)
C5—N2—C3—C4	174.2 (3)	O2—C1—C2—C3	−2.7 (6)
C2—N1—C5—N2	0.6 (4)	N3—C10—C6—C7	0.9 (5)
Co1—N1—C5—N2	172.7 (3)	N3—C10—C6—C5	−179.1 (3)
C2—N1—C5—C6	−179.1 (3)	N1—C5—C6—C7	−23.7 (5)
Co1—N1—C5—C6	−7.0 (6)	N2—C5—C6—C7	156.7 (3)
C3—N2—C5—N1	0.2 (4)	N1—C5—C6—C10	156.4 (3)
C3—N2—C5—C6	179.9 (3)	N2—C5—C6—C10	−23.3 (5)
N2—C3—C4—O4	−0.4 (5)	C10—N3—C9—C8	−0.9 (5)
C2—C3—C4—O4	173.0 (4)	N3—C9—C8—C7	−0.7 (5)
N2—C3—C4—O3	−179.9 (3)	C9—C8—C7—C6	2.4 (5)
C2—C3—C4—O3	−6.5 (6)	C10—C6—C7—C8	−2.5 (5)
Co1—O1—C1—O2	179.7 (3)	C5—C6—C7—C8	177.6 (3)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H3···O2	0.82	1.65	2.465 (3)	176.
N2—H2···O4ii	0.86	2.00	2.840 (3)	166.
O5—H5A···O3iii	0.85	2.07	2.918 (3)	173.
O5—H5B···N3iv	0.85	2.02	2.784 (3)	150.

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H3⋯O2	0.82	1.65	2.465 (3)	176
N2—H2⋯O4i	0.86	2.00	2.840 (3)	166
O5—H5A⋯O3ii	0.85	2.07	2.918 (3)	173
O5—H5B⋯N3iii	0.85	2.02	2.784 (3)	150

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