catena-Poly[[dichloridozinc(II)]-μ-1,4-bis-(pyridin-2-ylmeth-oxy)benzene-κN:N'].

In the title compound, [ZnCl(2)(C(18)H(16)N(2)O(2))](n), the Zn(II) ion is tetra-hedrally coordinated by two Cl atoms and by two N atoms from different 1,4-bis-(pyridin-2-ylmeth-oxy)benzene ligands. The ligand shows a non-planar configuration, in which the dihedral angles between the two terminal pyridine rings and the linking benzene ring are 7.86 (12) and 70.74 (11)°. The flexible ligand coordinates to the Zn(II) ions, generating an infinite chain propagating along [001].

Related literature

For the synthesis and general background to flexible pyridyl-based ligands, see: Wang et al. (2007 ▶); Liu et al. (2010a ▶,b ▶)

Experimental

Crystal data

[ZnCl2(C18H16N2O2)]

M = 428.62

Triclinic,

a = 8.8797 (18) Å

b = 10.458 (2) Å

c = 10.561 (2) Å

α = 87.55 (3)°

β = 73.50 (3)°

γ = 72.31 (3)°

V = 894.9 (3) Å3

Z = 2

Mo Kα radiation

μ = 1.69 mm−1

T = 293 K

0.21 × 0.19 × 0.17 mm

Data collection

Rigaku R-AXIS RAPID diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.719, T max = 0.760

8755 measured reflections

4028 independent reflections

3222 reflections with I > 2σ(I)

R int = 0.028

Refinement

R[F 2 > 2σ(F 2)] = 0.032

wR(F 2) = 0.073

S = 1.05

4028 reflections

226 parameters

H-atom parameters constrained

Δρmax = 0.32 e Å−3

Δρmin = −0.29 e Å−3

Data collection: RAPID-AUTO (Rigaku, 1998 ▶); cell refinement: RAPID-AUTO; data reduction: CrystalClear (Rigaku/MSC, 2002 ▶); 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: SHELXL97.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536811035963/fj2447sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811035963/fj2447Isup2.hkl

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

[ZnCl2(C18H16N2O2)]	Z = 2
Mr = 428.62	F(000) = 436
Triclinic, P1	Dx = 1.591 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.8797 (18) Å	Cell parameters from 6941 reflections
b = 10.458 (2) Å	θ = 3.6–27.5°
c = 10.561 (2) Å	µ = 1.69 mm−1
α = 87.55 (3)°	T = 293 K
β = 73.50 (3)°	Block, colorless
γ = 72.31 (3)°	0.21 × 0.19 × 0.17 mm
V = 894.9 (3) Å3

Rigaku R-AXIS RAPID diffractometer	4028 independent reflections
Radiation source: fine-focus sealed tube	3222 reflections with I > 2σ(I)
graphite	Rint = 0.028
ω scan	θmax = 27.5°, θmin = 3.6°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −10→11
Tmin = 0.719, Tmax = 0.760	k = −13→13
8755 measured reflections	l = −13→13

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)] = 0.032	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.073	H-atom parameters constrained
S = 1.05	w = 1/[σ2(Fo2) + (0.0311P)2 + 0.1894P] where P = (Fo2 + 2Fc2)/3
4028 reflections	(Δ/σ)max = 0.001
226 parameters	Δρmax = 0.32 e Å−3
0 restraints	Δρmin = −0.29 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
C1	0.8929 (3)	0.5157 (2)	1.3377 (2)	0.0426 (5)
H1	0.8933	0.5634	1.4099	0.051*
C2	0.9801 (3)	0.3817 (2)	1.3198 (3)	0.0503 (6)
H2	1.0380	0.3394	1.3786	0.060*
C3	0.9800 (3)	0.3111 (2)	1.2128 (3)	0.0508 (6)
H3	1.0393	0.2203	1.1976	0.061*
C4	0.8915 (3)	0.3759 (2)	1.1287 (2)	0.0438 (6)
H4	0.8894	0.3293	1.0565	0.053*
C5	0.8052 (3)	0.5115 (2)	1.1526 (2)	0.0331 (5)
C6	0.7058 (3)	0.5875 (2)	1.0652 (2)	0.0369 (5)
H6A	0.5895	0.6153	1.1133	0.044*
H6B	0.7376	0.6674	1.0367	0.044*
C7	0.6566 (3)	0.5573 (2)	0.8599 (2)	0.0377 (5)
C8	0.6904 (3)	0.4718 (2)	0.7515 (2)	0.0415 (5)
H8	0.7590	0.3840	0.7478	0.050*
C9	0.6227 (3)	0.5165 (2)	0.6498 (2)	0.0401 (5)
H9	0.6442	0.4583	0.5782	0.048*
C10	0.5228 (3)	0.6472 (2)	0.6532 (2)	0.0353 (5)
C11	0.4855 (3)	0.7321 (2)	0.7619 (2)	0.0438 (6)
H11	0.4157	0.8194	0.7658	0.053*
C12	0.5525 (3)	0.6863 (2)	0.8651 (2)	0.0448 (6)
H12	0.5270	0.7432	0.9386	0.054*
C13	0.3676 (3)	0.8196 (2)	0.5444 (2)	0.0373 (5)
H13A	0.4243	0.8803	0.5609	0.045*
H13B	0.2650	0.8351	0.6145	0.045*
C14	0.3322 (3)	0.8458 (2)	0.4139 (2)	0.0325 (5)
C15	0.1734 (3)	0.8713 (2)	0.4044 (2)	0.0396 (5)
H15	0.0900	0.8629	0.4778	0.047*
C16	0.1382 (3)	0.9091 (2)	0.2865 (3)	0.0450 (6)
H16	0.0322	0.9250	0.2792	0.054*
C17	0.2624 (3)	0.9227 (2)	0.1811 (3)	0.0460 (6)
H17	0.2419	0.9512	0.1013	0.055*
C18	0.4196 (3)	0.8933 (2)	0.1949 (2)	0.0407 (5)
H18	0.5040	0.9021	0.1225	0.049*
Cl1	0.76914 (7)	0.83611 (6)	0.47450 (6)	0.04153 (14)
Cl2	0.81884 (8)	0.89409 (6)	0.12085 (6)	0.04904 (16)
N1	0.8066 (2)	0.58173 (17)	1.25574 (17)	0.0322 (4)
N2	0.4562 (2)	0.85272 (17)	0.30782 (18)	0.0329 (4)
O1	0.7344 (2)	0.50350 (16)	0.95442 (16)	0.0488 (4)
O2	0.4678 (2)	0.68394 (15)	0.54293 (15)	0.0416 (4)
Zn1	0.70586 (3)	0.78909 (2)	0.29601 (3)	0.03361 (9)

	U11	U22	U33	U12	U13	U23
C1	0.0489 (14)	0.0418 (12)	0.0389 (13)	−0.0072 (11)	−0.0224 (11)	0.0025 (10)
C2	0.0581 (16)	0.0458 (14)	0.0492 (16)	−0.0070 (12)	−0.0297 (13)	0.0140 (12)
C3	0.0563 (16)	0.0348 (12)	0.0540 (17)	−0.0014 (12)	−0.0184 (13)	0.0058 (11)
C4	0.0527 (14)	0.0372 (12)	0.0387 (14)	−0.0083 (11)	−0.0142 (11)	−0.0014 (10)
C5	0.0334 (11)	0.0354 (11)	0.0295 (11)	−0.0095 (9)	−0.0089 (9)	0.0034 (9)
C6	0.0449 (13)	0.0384 (11)	0.0287 (12)	−0.0084 (10)	−0.0169 (10)	−0.0003 (9)
C7	0.0503 (13)	0.0351 (11)	0.0323 (12)	−0.0120 (11)	−0.0201 (11)	0.0018 (9)
C8	0.0590 (15)	0.0292 (11)	0.0384 (13)	−0.0087 (11)	−0.0219 (12)	0.0011 (9)
C9	0.0594 (15)	0.0318 (11)	0.0343 (13)	−0.0152 (11)	−0.0192 (11)	−0.0026 (9)
C10	0.0442 (13)	0.0363 (11)	0.0307 (12)	−0.0130 (10)	−0.0181 (10)	0.0022 (9)
C11	0.0543 (15)	0.0378 (12)	0.0378 (13)	−0.0029 (11)	−0.0218 (12)	−0.0034 (10)
C12	0.0567 (15)	0.0397 (12)	0.0347 (13)	0.0002 (11)	−0.0226 (12)	−0.0082 (10)
C13	0.0384 (12)	0.0391 (11)	0.0310 (12)	−0.0038 (10)	−0.0127 (10)	−0.0028 (9)
C14	0.0351 (11)	0.0269 (10)	0.0356 (12)	−0.0034 (9)	−0.0161 (10)	−0.0033 (8)
C15	0.0367 (12)	0.0382 (12)	0.0448 (14)	−0.0080 (10)	−0.0164 (10)	−0.0017 (10)
C16	0.0382 (13)	0.0423 (13)	0.0575 (16)	−0.0031 (11)	−0.0271 (12)	−0.0031 (11)
C17	0.0532 (15)	0.0444 (13)	0.0433 (14)	−0.0020 (12)	−0.0321 (13)	0.0031 (11)
C18	0.0440 (13)	0.0407 (12)	0.0342 (13)	−0.0026 (11)	−0.0175 (11)	0.0029 (10)
Cl1	0.0482 (3)	0.0434 (3)	0.0426 (3)	−0.0150 (3)	−0.0264 (3)	0.0013 (2)
Cl2	0.0539 (4)	0.0542 (3)	0.0416 (3)	−0.0198 (3)	−0.0154 (3)	0.0129 (3)
N1	0.0331 (9)	0.0344 (9)	0.0291 (9)	−0.0069 (8)	−0.0127 (8)	0.0033 (7)
N2	0.0343 (9)	0.0324 (9)	0.0307 (10)	−0.0022 (8)	−0.0155 (8)	−0.0011 (7)
O1	0.0704 (12)	0.0377 (8)	0.0383 (10)	−0.0005 (8)	−0.0320 (9)	−0.0043 (7)
O2	0.0607 (10)	0.0338 (8)	0.0359 (9)	−0.0084 (8)	−0.0287 (8)	−0.0001 (6)
Zn1	0.03523 (15)	0.03499 (14)	0.03301 (15)	−0.00713 (11)	−0.01731 (11)	0.00198 (10)

C1—N1	1.348 (3)	C11—C12	1.387 (3)
C1—C2	1.371 (3)	C11—H11	0.9300
C1—H1	0.9300	C12—H12	0.9300
C2—C3	1.376 (4)	C13—O2	1.426 (3)
C2—H2	0.9300	C13—C14	1.495 (3)
C3—C4	1.374 (3)	C13—H13A	0.9700
C3—H3	0.9300	C13—H13B	0.9700
C4—C5	1.387 (3)	C14—N2	1.346 (3)
C4—H4	0.9300	C14—C15	1.385 (3)
C5—N1	1.344 (3)	C15—C16	1.381 (3)
C5—C6	1.496 (3)	C15—H15	0.9300
C6—O1	1.410 (3)	C16—C17	1.364 (4)
C6—H6A	0.9700	C16—H16	0.9300
C6—H6B	0.9700	C17—C18	1.384 (3)
C7—C12	1.377 (3)	C17—H17	0.9300
C7—O1	1.378 (3)	C18—N2	1.341 (3)
C7—C8	1.390 (3)	C18—H18	0.9300
C8—C9	1.373 (3)	Cl1—Zn1	2.2271 (7)
C8—H8	0.9300	Cl2—Zn1	2.2530 (10)
C9—C10	1.380 (3)	N1—Zn1i	2.0898 (18)
C9—H9	0.9300	N2—Zn1	2.0803 (18)
C10—C11	1.381 (3)	Zn1—N1ii	2.0898 (18)
C10—O2	1.383 (3)
N1—C1—C2	123.2 (2)	C7—C12—H12	119.7
N1—C1—H1	118.4	C11—C12—H12	119.7
C2—C1—H1	118.4	O2—C13—C14	109.20 (17)
C1—C2—C3	118.5 (2)	O2—C13—H13A	109.8
C1—C2—H2	120.8	C14—C13—H13A	109.8
C3—C2—H2	120.8	O2—C13—H13B	109.8
C4—C3—C2	119.4 (2)	C14—C13—H13B	109.8
C4—C3—H3	120.3	H13A—C13—H13B	108.3
C2—C3—H3	120.3	N2—C14—C15	120.9 (2)
C3—C4—C5	119.4 (2)	N2—C14—C13	118.31 (19)
C3—C4—H4	120.3	C15—C14—C13	120.6 (2)
C5—C4—H4	120.3	C16—C15—C14	120.4 (2)
N1—C5—C4	121.7 (2)	C16—C15—H15	119.8
N1—C5—C6	116.45 (18)	C14—C15—H15	119.8
C4—C5—C6	121.9 (2)	C17—C16—C15	118.5 (2)
O1—C6—C5	108.69 (18)	C17—C16—H16	120.8
O1—C6—H6A	110.0	C15—C16—H16	120.8
C5—C6—H6A	110.0	C16—C17—C18	118.8 (2)
O1—C6—H6B	110.0	C16—C17—H17	120.6
C5—C6—H6B	110.0	C18—C17—H17	120.6
H6A—C6—H6B	108.3	N2—C18—C17	123.1 (2)
C12—C7—O1	125.3 (2)	N2—C18—H18	118.4
C12—C7—C8	119.3 (2)	C17—C18—H18	118.4
O1—C7—C8	115.4 (2)	C5—N1—C1	117.94 (18)
C9—C8—C7	120.1 (2)	C5—N1—Zn1i	127.03 (14)
C9—C8—H8	119.9	C1—N1—Zn1i	114.79 (14)
C7—C8—H8	119.9	C18—N2—C14	118.08 (19)
C8—C9—C10	120.5 (2)	C18—N2—Zn1	115.68 (15)
C8—C9—H9	119.8	C14—N2—Zn1	125.98 (14)
C10—C9—H9	119.8	C7—O1—C6	117.33 (17)
C9—C10—C11	119.8 (2)	C10—O2—C13	116.16 (17)
C9—C10—O2	115.81 (19)	N2—Zn1—N1ii	111.05 (7)
C11—C10—O2	124.4 (2)	N2—Zn1—Cl1	115.74 (6)
C10—C11—C12	119.6 (2)	N1ii—Zn1—Cl1	107.18 (6)
C10—C11—H11	120.2	N2—Zn1—Cl2	103.67 (6)
C12—C11—H11	120.2	N1ii—Zn1—Cl2	108.57 (6)
C7—C12—C11	120.6 (2)	Cl1—Zn1—Cl2	110.47 (3)