catena-Poly[[di-μ-aqua-bis[aqua-cobalt(II)]]-bis(μ(3)-1H-benzimidazole-5,6-dicarboxylato].

The title compound, [Co(2)(C(9)H(4)N(2)O(4))(2)(H(2)O)(4)](n), is a one-dimensional polymeric complex with bridging 1H-benzimidazole-5,6-dicarboxyl-ate and aqua ligands. The Co(II) cation has an octa-hedral coordination environment provided by an NO(5) donor set. Adjacent polymeric chains extended along the [100] direction are linked by O-H⋯O and N-H⋯O hydrogen bonds, generating a three-dimensional network.

Related literature

A dinuclear CoII complex with a 1H-benzimidazole-5,6-dicarboxyl­ate anion as a bridging ligand was reported by Lo et al. (2007 ▶). For general information on polymeric coordination compounds, see: Barnett & Champness (2003 ▶); Eddaoudi et al. (2001 ▶); Kitagawa et al. (2004 ▶); Moulton & Zaworotko (2001 ▶); Roesky & Andruh (2003 ▶).

Experimental

Crystal data

[Co2(C9H4N2O4)2(H2O)4]

M = 598.20

Monoclinic,

a = 8.8161 (8) Å

b = 9.1092 (6) Å

c = 13.0236 (13) Å

β = 97.693 (7)°

V = 1036.48 (16) Å3

Z = 2

Mo Kα radiation

μ = 1.68 mm−1

T = 298 K

0.13 × 0.10 × 0.04 mm

Data collection

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1997 ▶) T min = 0.801, T max = 0.936

10641 measured reflections

2132 independent reflections

1843 reflections with I > 2σ(I)

R int = 0.032

Refinement

R[F 2 > 2σ(F 2)] = 0.031

wR(F 2) = 0.084

S = 1.09

2132 reflections

178 parameters

7 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.24 e Å−3

Δρmin = −0.25 e Å−3

Data collection: APEX2 (Bruker, 2004bbr id="bb12">); cell refinement: SAINT-Plus (Bruker, 2001 ▶); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: PLATON (Spek, 2009 ▶); software used to prepare material for publication: PLATON.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809005194/gk2188sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809005194/gk2188Isup2.hkl

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

[Co2(C9H4N2O4)2(H2O)4]	F(000) = 604
Mr = 598.20	Dx = 1.917 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 3722 reflections
a = 8.8161 (8) Å	θ = 2.8–26.9°
b = 9.1092 (6) Å	µ = 1.68 mm−1
c = 13.0236 (13) Å	T = 298 K
β = 97.693 (7)°	Plate, pink
V = 1036.48 (16) Å3	0.13 × 0.10 × 0.04 mm
Z = 2

Bruker APEX II CCD diffractometer	2132 independent reflections
Radiation source: fine-focus sealed tube	1843 reflections with I > 2σ(I)
graphite	Rint = 0.032
ω scan	θmax = 26.5°, θmin = 2.3°
Absorption correction: multi-scan (SADABS; Sheldrick, 1997)	h = −11→11
Tmin = 0.801, Tmax = 0.936	k = −11→10
10641 measured reflections	l = −16→16

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)] = 0.031	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.084	H atoms treated by a mixture of independent and constrained refinement
S = 1.09	w = 1/[σ2(Fo2) + (0.0484P)2 + 0.4096P] where P = (Fo2 + 2Fc2)/3
2132 reflections	(Δ/σ)max = 0.001
178 parameters	Δρmax = 0.24 e Å−3
7 restraints	Δρmin = −0.25 e Å−3

Experimental. Crystal grew over two weeks.

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
Co1	0.40810 (3)	0.14143 (3)	−0.03697 (2)	0.01731 (13)
O1	0.62863 (17)	0.22091 (18)	0.00054 (13)	0.0215 (4)
O2	0.76041 (18)	0.01355 (18)	0.04928 (13)	0.0244 (4)
O3	0.66320 (18)	0.25466 (18)	0.22762 (12)	0.0231 (4)
O4	0.7113 (2)	0.49433 (19)	0.24802 (15)	0.0329 (5)
O5	0.47578 (18)	0.03826 (19)	0.11583 (12)	0.0205 (4)
H5A	0.537 (3)	0.098 (3)	0.143 (2)	0.031*
H5B	0.414 (3)	0.017 (3)	0.1548 (19)	0.031*
O6	0.3858 (2)	0.2363 (2)	−0.18070 (14)	0.0321 (4)
H6A	0.461 (3)	0.228 (3)	−0.213 (2)	0.048*
H6B	0.345 (3)	0.315 (3)	−0.193 (3)	0.048*
N1	1.2913 (2)	0.3115 (2)	0.03501 (15)	0.0202 (4)
N2	1.2660 (2)	0.5038 (2)	0.13927 (16)	0.0226 (4)
H2	1.286 (3)	0.584 (2)	0.170 (2)	0.027*
C1	1.3576 (2)	0.4279 (3)	0.08205 (18)	0.0216 (5)
H1	1.4578	0.4553	0.0765	0.026*
C2	1.1427 (2)	0.3117 (3)	0.06301 (18)	0.0183 (5)
C3	1.0189 (2)	0.2181 (3)	0.03410 (18)	0.0194 (5)
H3	1.0255	0.1415	−0.0122	0.023*
C4	0.8847 (2)	0.2441 (3)	0.07752 (17)	0.0184 (5)
C5	0.8741 (3)	0.3586 (2)	0.15138 (18)	0.0186 (5)
C6	0.9952 (3)	0.4545 (3)	0.17708 (18)	0.0223 (5)
H6	0.9894	0.5312	0.2235	0.027*
C7	1.1273 (2)	0.4306 (3)	0.12990 (18)	0.0198 (5)
C8	0.7465 (3)	0.1518 (3)	0.03986 (17)	0.0186 (5)
C9	0.7389 (3)	0.3696 (3)	0.21238 (18)	0.0192 (5)

	U11	U22	U33	U12	U13	U23
Co1	0.01344 (18)	0.0164 (2)	0.02276 (19)	−0.00114 (11)	0.00492 (12)	−0.00042 (12)
O1	0.0138 (8)	0.0209 (9)	0.0299 (9)	−0.0027 (6)	0.0033 (6)	0.0015 (7)
O2	0.0150 (8)	0.0181 (9)	0.0407 (10)	−0.0024 (6)	0.0061 (7)	−0.0040 (7)
O3	0.0224 (8)	0.0204 (9)	0.0281 (9)	−0.0014 (7)	0.0093 (7)	0.0020 (7)
O4	0.0360 (10)	0.0199 (10)	0.0484 (11)	0.0032 (8)	0.0269 (9)	−0.0022 (8)
O5	0.0177 (8)	0.0215 (9)	0.0239 (9)	−0.0042 (7)	0.0089 (7)	−0.0012 (7)
O6	0.0352 (11)	0.0314 (11)	0.0313 (10)	0.0100 (8)	0.0098 (8)	0.0104 (8)
N1	0.0133 (9)	0.0200 (11)	0.0279 (10)	−0.0017 (8)	0.0052 (8)	−0.0010 (8)
N2	0.0182 (10)	0.0188 (11)	0.0311 (11)	−0.0050 (8)	0.0045 (8)	−0.0071 (9)
C1	0.0131 (11)	0.0223 (13)	0.0299 (12)	−0.0033 (9)	0.0044 (9)	0.0010 (10)
C2	0.0129 (10)	0.0191 (12)	0.0238 (11)	0.0008 (9)	0.0053 (8)	0.0003 (9)
C3	0.0152 (11)	0.0174 (12)	0.0262 (12)	−0.0014 (9)	0.0055 (9)	−0.0056 (9)
C4	0.0126 (10)	0.0172 (12)	0.0260 (11)	−0.0007 (9)	0.0046 (8)	−0.0003 (10)
C5	0.0154 (11)	0.0170 (12)	0.0244 (11)	0.0033 (8)	0.0062 (9)	0.0002 (9)
C6	0.0214 (12)	0.0169 (12)	0.0296 (12)	0.0001 (9)	0.0073 (9)	−0.0059 (10)
C7	0.0143 (11)	0.0159 (12)	0.0289 (12)	−0.0021 (9)	0.0023 (9)	−0.0020 (10)
C8	0.0153 (11)	0.0189 (13)	0.0233 (11)	−0.0013 (9)	0.0086 (9)	−0.0033 (9)
C9	0.0155 (11)	0.0209 (13)	0.0219 (11)	0.0038 (9)	0.0056 (9)	0.0028 (9)

Co1—O1	2.0709 (15)	N1—C2	1.406 (3)
Co1—O2i	2.0401 (16)	N2—C1	1.359 (3)
Co1—O5	2.2094 (17)	N2—C7	1.385 (3)
Co1—O5i	2.2503 (16)	N2—H2	0.838 (17)
Co1—O6	2.0472 (18)	C1—H1	0.9300
Co1—N1ii	2.144 (2)	C2—C3	1.396 (3)
O1—C8	1.263 (3)	C2—C7	1.407 (3)
O2—C8	1.270 (3)	C3—C4	1.398 (3)
O3—C9	1.272 (3)	C3—H3	0.9300
O4—C9	1.263 (3)	C4—C5	1.430 (3)
O5—H5A	0.810 (16)	C4—C8	1.507 (3)
O5—H5B	0.819 (16)	C5—C6	1.386 (3)
O6—H6A	0.829 (17)	C5—C9	1.521 (3)
O6—H6B	0.812 (17)	C6—C7	1.404 (3)
N1—C1	1.321 (3)	C6—H6	0.9300
O2i—Co1—O6	103.92 (8)	C1—N2—H2	127.0 (19)
O2i—Co1—O1	155.68 (7)	C7—N2—H2	126.0 (19)
O6—Co1—O1	92.30 (7)	N1—C1—N2	113.83 (19)
O2i—Co1—N1ii	98.46 (7)	N1—C1—H1	123.1
O6—Co1—N1ii	95.85 (8)	N2—C1—H1	123.1
O1—Co1—N1ii	97.75 (7)	C3—C2—N1	130.6 (2)
O2i—Co1—O5	83.25 (7)	C3—C2—C7	119.97 (19)
O6—Co1—O5	169.87 (7)	N1—C2—C7	109.4 (2)
O1—Co1—O5	78.72 (6)	C2—C3—C4	117.5 (2)
N1ii—Co1—O5	90.07 (7)	C2—C3—H3	121.3
O2i—Co1—O5i	80.31 (6)	C4—C3—H3	121.3
O6—Co1—O5i	83.31 (7)	C3—C4—C5	122.0 (2)
O1—Co1—O5i	83.79 (6)	C3—C4—C8	117.7 (2)
N1ii—Co1—O5i	178.28 (6)	C5—C4—C8	120.16 (19)
O5—Co1—O5i	90.98 (6)	C6—C5—C4	120.3 (2)
C8—O1—Co1	128.08 (15)	C6—C5—C9	117.67 (19)
C8—O2—Co1i	128.23 (15)	C4—C5—C9	121.7 (2)
Co1—O5—Co1i	89.02 (6)	C5—C6—C7	117.0 (2)
Co1—O5—H5A	101 (2)	C5—C6—H6	121.5
Co1i—O5—H5A	112 (2)	C7—C6—H6	121.5
Co1—O5—H5B	123 (2)	N2—C7—C6	131.4 (2)
Co1i—O5—H5B	119.5 (19)	N2—C7—C2	105.54 (19)
H5A—O5—H5B	110 (2)	C6—C7—C2	123.0 (2)
Co1—O6—H6A	116 (2)	O1—C8—O2	126.7 (2)
Co1—O6—H6B	123 (2)	O1—C8—C4	116.1 (2)
H6A—O6—H6B	110 (2)	O2—C8—C4	117.3 (2)
C1—N1—C2	104.40 (19)	O4—C9—O3	123.5 (2)
C1—N1—Co1iii	125.01 (15)	O4—C9—C5	117.0 (2)
C2—N1—Co1iii	129.27 (16)	O3—C9—C5	119.4 (2)
C1—N2—C7	106.8 (2)
O2i—Co1—O1—C8	0.0 (3)	C8—C4—C5—C9	14.2 (3)
O6—Co1—O1—C8	−132.30 (18)	C4—C5—C6—C7	−1.8 (3)
N1ii—Co1—O1—C8	131.48 (18)	C9—C5—C6—C7	171.8 (2)
O5—Co1—O1—C8	42.96 (18)	C1—N2—C7—C6	175.5 (3)
O5i—Co1—O1—C8	−49.29 (18)	C1—N2—C7—C2	−1.3 (3)
O2i—Co1—O5—Co1i	80.12 (6)	C5—C6—C7—N2	−179.3 (2)
O6—Co1—O5—Co1i	−55.5 (4)	C5—C6—C7—C2	−3.0 (4)
O1—Co1—O5—Co1i	−83.47 (6)	C3—C2—C7—N2	−177.5 (2)
N1ii—Co1—O5—Co1i	178.64 (6)	N1—C2—C7—N2	1.7 (3)
C2—N1—C1—N2	0.5 (3)	C3—C2—C7—C6	5.4 (4)
Co1iii—N1—C1—N2	−167.35 (16)	N1—C2—C7—C6	−175.5 (2)
C7—N2—C1—N1	0.5 (3)	Co1—O1—C8—O2	12.4 (3)
C1—N1—C2—C3	177.7 (3)	Co1—O1—C8—C4	−168.66 (14)
Co1iii—N1—C2—C3	−15.1 (4)	Co1i—O2—C8—O1	−15.5 (3)
C1—N1—C2—C7	−1.4 (3)	Co1i—O2—C8—C4	165.65 (14)
Co1iii—N1—C2—C7	165.80 (16)	C3—C4—C8—O1	−121.1 (2)
N1—C2—C3—C4	178.3 (2)	C5—C4—C8—O1	55.9 (3)
C7—C2—C3—C4	−2.7 (3)	C3—C4—C8—O2	57.9 (3)
C2—C3—C4—C5	−2.0 (3)	C5—C4—C8—O2	−125.1 (2)
C2—C3—C4—C8	174.9 (2)	C6—C5—C9—O4	29.5 (3)
C3—C4—C5—C6	4.4 (4)	C4—C5—C9—O4	−156.9 (2)
C8—C4—C5—C6	−172.5 (2)	C6—C5—C9—O3	−148.4 (2)
C3—C4—C5—C9	−169.0 (2)	C4—C5—C9—O3	25.1 (3)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2···O3iv	0.84 (2)	2.06 (2)	2.885 (3)	168 (3)
O5—H5A···O3	0.81 (2)	2.04 (2)	2.844 (2)	171 (3)
O5—H5B···O4v	0.82 (2)	1.80 (2)	2.609 (2)	171 (3)
O6—H6A···O3vi	0.83 (2)	2.05 (2)	2.863 (2)	167 (3)
O6—H6B···O4vii	0.81 (2)	1.91 (2)	2.706 (3)	164 (3)
C3—H3···O2viii	0.93	2.46	3.160 (3)	133

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N2—H2⋯O3i	0.838 (17)	2.060 (18)	2.885 (3)	168 (3)
O5—H5A⋯O3	0.810 (16)	2.042 (18)	2.844 (2)	171 (3)
O5—H5B⋯O4ii	0.819 (16)	1.797 (17)	2.609 (2)	171 (3)
O6—H6A⋯O3iii	0.829 (17)	2.047 (19)	2.863 (2)	167 (3)
O6—H6B⋯O4iv	0.812 (17)	1.91 (2)	2.706 (3)	164 (3)

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