catena-Poly[[bis-(acetato-κO,O')cobalt(II)]-μ-4,4'-bis-(benzimidazol-1-yl)biphenyl-κN:N].

In the title one-dimensional coordination polymer, [Co(C(2)H(3)O(2))(2)(C(26)H(18)N(4))](n), the Co(II) atom (site symmetry 2) is coordinated by two O,O'-bidentate acetate ions and two 4,4'-bis-(benzimidazol-1-yl)biphenyl ligands in a distorted cis-CoN(2)O(4) octa-hedral geometry. The bridging ligand, which is completed by crystallographic twofold symmetry, links the Co(II) atoms into [10] chains. Within the ligand, the dihedral angle between the benzene and benzimidazole rings is 48.31 (8)°.

Related literature

For background to benzimidazole-derived ligands in coordin­ation n class="Chemical">polymers, see: Jin et al. (2006 ▶); Li et al. (2010 ▶); Su et al. (2003 ▶).

Experimental

Crystal data

[Co(C2H3O2)2(C26H18N4)]

M = 563.46

Orthorhombic,

a = 13.078 (3) Å

b = 16.348 (3) Å

c = 11.354 (2) Å

V = 2427.5 (8) Å3

Z = 4

Mo Kα radiation

μ = 0.75 mm−1

T = 293 K

0.25 × 0.22 × 0.18 mm

Data collection

Rigaku CCD area-detector diffractometer

Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005 ▶) T min = 0.828, T max = 0.873

21778 measured reflections

2150 independent reflections

2101 reflections with I > 2σ(I)

R int = 0.038

Refinement

R[F 2 > 2σ(F 2)] = 0.035

wR(F 2) = 0.083

S = 1.10

2150 reflections

178 parameters

H-atom parameters constrained

Δρmax = 0.27 e Å−3

Δρmin = −0.41 e Å−3

Data collection: CrystalClear (Rigaku/MSC, 2005 ▶); cell refinement: CrystalClear; data reduction: CrystalClear; 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/S160053681004715X/hb5708sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053681004715X/hb5708Isup2.hkl

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

[Co(C2H3O2)2(C26H18N4)]	Dx = 1.542 Mg m−3
Mr = 563.46	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pbcn	Cell parameters from 6002 reflections
a = 13.078 (3) Å	θ = 2.0–27.9°
b = 16.348 (3) Å	µ = 0.75 mm−1
c = 11.354 (2) Å	T = 293 K
V = 2427.5 (8) Å3	Block, purple
Z = 4	0.25 × 0.22 × 0.18 mm
F(000) = 1164

Rigaku CCD area-detector diffractometer	2150 independent reflections
Radiation source: fine-focus sealed tube	2101 reflections with I > 2σ(I)
graphite	Rint = 0.038
Detector resolution: 9 pixels mm-1	θmax = 25.0°, θmin = 2.7°
ω scans	h = −15→15
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005)	k = −19→19
Tmin = 0.828, Tmax = 0.873	l = −13→13
21778 measured reflections

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)] = 0.035	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.083	H-atom parameters constrained
S = 1.10	w = 1/[σ2(Fo2) + (0.0367P)2 + 2.7447P] where P = (Fo2 + 2Fc2)/3
2150 reflections	(Δ/σ)max < 0.001
178 parameters	Δρmax = 0.27 e Å−3
0 restraints	Δρmin = −0.41 e Å−3

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	0.0000	0.40968 (2)	0.2500	0.01345 (14)
O1	0.08394 (11)	0.37040 (10)	0.39033 (14)	0.0268 (4)
C11	0.45996 (14)	0.51680 (12)	−0.20359 (17)	0.0138 (4)
C12	0.44299 (15)	0.44856 (12)	−0.13277 (18)	0.0160 (4)
H12	0.4800	0.4009	−0.1461	0.019*
C7	0.23045 (15)	0.58691 (12)	0.15147 (17)	0.0134 (4)
C3	0.11760 (15)	0.61095 (13)	0.31741 (17)	0.0163 (4)
H3	0.0633	0.5956	0.3655	0.020*
N2	0.24267 (12)	0.52419 (10)	0.06971 (14)	0.0140 (4)
N1	0.11225 (12)	0.48650 (10)	0.18429 (14)	0.0148 (4)
C10	0.40024 (15)	0.58655 (13)	−0.18495 (18)	0.0171 (4)
H10	0.4096	0.6322	−0.2327	0.021*
C13	0.37154 (15)	0.45080 (12)	−0.04256 (18)	0.0162 (4)
H13	0.3618	0.4054	0.0055	0.019*
C8	0.31481 (14)	0.52118 (12)	−0.02460 (17)	0.0144 (4)
C9	0.32729 (15)	0.58878 (12)	−0.09655 (18)	0.0164 (4)
H9	0.2872	0.6351	−0.0857	0.020*
C14	0.02557 (15)	0.31459 (12)	0.42490 (18)	0.0163 (4)
O2	−0.06065 (12)	0.30382 (10)	0.38106 (15)	0.0292 (4)
C4	0.17056 (15)	0.68295 (13)	0.33635 (18)	0.0184 (4)
H4	0.1517	0.7165	0.3989	0.022*
C1	0.17101 (15)	0.46685 (12)	0.09472 (17)	0.0153 (4)
H1	0.1641	0.4184	0.0526	0.018*
C15	0.06315 (17)	0.25921 (14)	0.5229 (2)	0.0249 (5)
H15A	0.0636	0.2889	0.5958	0.037*
H15B	0.1312	0.2408	0.5052	0.037*
H15C	0.0185	0.2128	0.5297	0.037*
C2	0.14891 (15)	0.56223 (12)	0.22333 (17)	0.0140 (4)
C6	0.28339 (15)	0.65947 (12)	0.16999 (17)	0.0162 (4)
H6	0.3372	0.6753	0.1216	0.019*
C5	0.25205 (16)	0.70673 (13)	0.26368 (18)	0.0176 (4)
H5	0.2858	0.7557	0.2792	0.021*

	U11	U22	U33	U12	U13	U23
Co1	0.0112 (2)	0.0150 (2)	0.0141 (2)	0.000	0.00353 (14)	0.000
O1	0.0208 (8)	0.0286 (9)	0.0311 (9)	−0.0010 (7)	0.0001 (7)	0.0116 (7)
C11	0.0112 (9)	0.0182 (11)	0.0121 (9)	−0.0018 (8)	0.0014 (8)	−0.0006 (8)
C12	0.0148 (10)	0.0151 (10)	0.0182 (10)	0.0020 (8)	0.0026 (8)	−0.0013 (8)
C7	0.0132 (10)	0.0144 (10)	0.0126 (9)	0.0016 (7)	0.0007 (8)	0.0005 (8)
C3	0.0146 (10)	0.0214 (11)	0.0131 (10)	0.0008 (8)	0.0029 (8)	0.0006 (8)
N2	0.0134 (8)	0.0153 (8)	0.0133 (8)	−0.0009 (6)	0.0049 (7)	−0.0002 (7)
N1	0.0145 (8)	0.0154 (9)	0.0146 (8)	−0.0018 (7)	0.0037 (7)	−0.0016 (7)
C10	0.0173 (10)	0.0173 (11)	0.0167 (10)	0.0001 (8)	0.0041 (8)	0.0032 (8)
C13	0.0176 (10)	0.0144 (10)	0.0166 (10)	−0.0023 (8)	0.0035 (8)	0.0012 (8)
C8	0.0109 (9)	0.0189 (10)	0.0135 (10)	−0.0017 (8)	0.0042 (8)	−0.0012 (8)
C9	0.0141 (10)	0.0166 (10)	0.0184 (10)	0.0031 (8)	0.0036 (8)	0.0001 (8)
C14	0.0138 (10)	0.0187 (10)	0.0165 (10)	0.0023 (8)	0.0040 (8)	−0.0055 (8)
O2	0.0279 (9)	0.0226 (8)	0.0372 (9)	−0.0004 (7)	−0.0079 (8)	−0.0027 (7)
C4	0.0200 (11)	0.0197 (11)	0.0154 (10)	0.0025 (8)	0.0005 (8)	−0.0043 (8)
C1	0.0139 (10)	0.0159 (10)	0.0162 (10)	−0.0007 (8)	0.0038 (8)	−0.0009 (8)
C15	0.0237 (12)	0.0244 (12)	0.0265 (12)	0.0012 (9)	0.0015 (9)	0.0031 (10)
C2	0.0126 (9)	0.0151 (10)	0.0144 (10)	0.0010 (8)	0.0004 (8)	0.0007 (8)
C6	0.0129 (9)	0.0176 (10)	0.0180 (10)	−0.0015 (8)	0.0020 (8)	0.0019 (8)
C5	0.0162 (10)	0.0147 (10)	0.0220 (11)	−0.0014 (8)	−0.0022 (8)	−0.0016 (8)

Co1—O1i	2.0386 (16)	N1—C1	1.315 (3)
Co1—O1	2.0386 (16)	N1—C2	1.400 (3)
Co1—O2	2.4163 (18)	C10—C9	1.385 (3)
Co1—O2i	2.4163 (18)	C10—H10	0.9300
Co1—N1	2.0709 (16)	C13—C8	1.384 (3)
Co1—N1i	2.0709 (16)	C13—H13	0.9300
O1—C14	1.253 (3)	C8—C9	1.384 (3)
C11—C12	1.393 (3)	C9—H9	0.9300
C11—C10	1.398 (3)	C14—O2	1.245 (3)
C11—C11ii	1.486 (4)	C14—C15	1.516 (3)
C12—C13	1.387 (3)	C4—C5	1.403 (3)
C12—H12	0.9300	C4—H4	0.9300
C7—C6	1.390 (3)	C1—H1	0.9300
C7—N2	1.392 (2)	C15—H15A	0.9600
C7—C2	1.402 (3)	C15—H15B	0.9600
C3—C4	1.383 (3)	C15—H15C	0.9600
C3—C2	1.394 (3)	C6—C5	1.377 (3)
C3—H3	0.9300	C6—H6	0.9300
N2—C1	1.356 (3)	C5—H5	0.9300
N2—C8	1.428 (2)
O1i—Co1—O1	143.29 (10)	C9—C8—C13	120.90 (18)
O1i—Co1—N1	106.93 (7)	C9—C8—N2	119.55 (17)
O1—Co1—N1	95.21 (6)	C13—C8—N2	119.55 (17)
O1i—Co1—N1i	95.21 (6)	C8—C9—C10	119.21 (18)
O1—Co1—N1i	106.93 (7)	C8—C9—H9	120.4
N1—Co1—N1i	105.34 (9)	C10—C9—H9	120.4
C14—O1—Co1	98.41 (13)	O2—C14—O1	122.0 (2)
C12—C11—C10	118.47 (18)	O2—C14—C15	120.16 (19)
C12—C11—C11ii	121.45 (13)	O1—C14—C15	117.86 (18)
C10—C11—C11ii	120.07 (13)	C3—C4—C5	121.67 (19)
C13—C12—C11	120.84 (18)	C3—C4—H4	119.2
C13—C12—H12	119.6	C5—C4—H4	119.2
C11—C12—H12	119.6	N1—C1—N2	113.41 (18)
C6—C7—N2	132.25 (18)	N1—C1—H1	123.3
C6—C7—C2	122.45 (18)	N2—C1—H1	123.3
N2—C7—C2	105.27 (17)	C14—C15—H15A	109.5
C4—C3—C2	117.29 (18)	C14—C15—H15B	109.5
C4—C3—H3	121.4	H15A—C15—H15B	109.5
C2—C3—H3	121.4	C14—C15—H15C	109.5
C1—N2—C7	106.87 (16)	H15A—C15—H15C	109.5
C1—N2—C8	126.16 (17)	H15B—C15—H15C	109.5
C7—N2—C8	126.95 (16)	C3—C2—N1	130.35 (18)
C1—N1—C2	105.12 (16)	C3—C2—C7	120.32 (19)
C1—N1—Co1	123.02 (14)	N1—C2—C7	109.32 (17)
C2—N1—Co1	131.69 (13)	C5—C6—C7	116.59 (18)
C9—C10—C11	121.05 (19)	C5—C6—H6	121.7
C9—C10—H10	119.5	C7—C6—H6	121.7
C11—C10—H10	119.5	C6—C5—C4	121.67 (19)
C8—C13—C12	119.46 (18)	C6—C5—H5	119.2
C8—C13—H13	120.3	C4—C5—H5	119.2
C12—C13—H13	120.3
O1i—Co1—O1—C14	−43.39 (12)	C13—C8—C9—C10	−2.3 (3)
N1—Co1—O1—C14	−171.08 (13)	N2—C8—C9—C10	177.49 (18)
N1i—Co1—O1—C14	81.14 (14)	C11—C10—C9—C8	1.1 (3)
C10—C11—C12—C13	−2.7 (3)	Co1—O1—C14—O2	−6.9 (2)
C11ii—C11—C12—C13	176.7 (2)	Co1—O1—C14—C15	172.84 (15)
C6—C7—N2—C1	178.2 (2)	C2—C3—C4—C5	0.5 (3)
C2—C7—N2—C1	0.0 (2)	C2—N1—C1—N2	−1.1 (2)
C6—C7—N2—C8	−3.3 (3)	Co1—N1—C1—N2	−176.94 (13)
C2—C7—N2—C8	178.53 (18)	C7—N2—C1—N1	0.7 (2)
O1i—Co1—N1—C1	−49.07 (17)	C8—N2—C1—N1	−177.81 (17)
O1—Co1—N1—C1	101.29 (16)	C4—C3—C2—N1	178.6 (2)
N1i—Co1—N1—C1	−149.55 (18)	C4—C3—C2—C7	−0.5 (3)
O1i—Co1—N1—C2	136.34 (17)	C1—N1—C2—C3	−178.1 (2)
O1—Co1—N1—C2	−73.29 (18)	Co1—N1—C2—C3	−2.8 (3)
N1i—Co1—N1—C2	35.86 (15)	C1—N1—C2—C7	1.1 (2)
C12—C11—C10—C9	1.4 (3)	Co1—N1—C2—C7	176.39 (13)
C11ii—C11—C10—C9	−178.0 (2)	C6—C7—C2—C3	0.2 (3)
C11—C12—C13—C8	1.5 (3)	N2—C7—C2—C3	178.57 (17)
C12—C13—C8—C9	1.0 (3)	C6—C7—C2—N1	−179.06 (18)
C12—C13—C8—N2	−178.74 (17)	N2—C7—C2—N1	−0.7 (2)
C1—N2—C8—C9	131.6 (2)	N2—C7—C6—C5	−177.7 (2)
C7—N2—C8—C9	−46.6 (3)	C2—C7—C6—C5	0.2 (3)
C1—N2—C8—C13	−48.6 (3)	C7—C6—C5—C4	−0.3 (3)
C7—N2—C8—C13	133.1 (2)	C3—C4—C5—C6	−0.1 (3)

Table 1

Selected bond lengths (Å)

Co1—O1	2.0386 (16)
Co1—O2	2.4163 (18)
Co1—N1	2.0709 (16)