catena-Poly[(dichloridozinc)-μ-bis-(pyridin-3-yl)methanone-κN:N'].

In the title polymer, [ZnCl(2)(C(11)H(8)N(2)O)](n), the Zn(II) atom lies on a twofold rotation axis and has a distorted tetra-hedral ZnCl(2)N(2) geometry involving two chloride donors and two N-atom donors from μ(2)-bridging bis-(pyridin-3-yl)methanone ligands, which also have twofold symmetry. A zigzag chain structure is formed, extending along (001). Each chain is surrounded by three others which are inter-connected through weak C=O⋯π(pyrid-yl) [O⋯centroid = 2.999 (3) Å] and π(pyrid-yl)-π(pyrid-yl) inter-actions [minimum ring centroid separation = 4.014 (2) Å], giving a three-dimensional framework.

Related literature

For background to the coordination chemistry of pyridyl­ketone derivatives, see: Huang et al. (2003 ▶); Wan et al. (2008 ▶). For transition metal complexes of bis­(3-pyrid­yl)ketone, see: Chen et al. (2005 ▶, 2009 ▶); Chen & Mak (2005 ▶).

Experimental

Crystal data

[ZnCl2(C11H8N2O)]

M = 320.46

Monoclinic,

a = 9.9266 (7) Å

b = 15.5724 (10) Å

c = 7.8963 (6) Å

β = 93.878 (4)°

V = 1217.82 (15) Å3

Z = 4

Mo Kα radiation

μ = 2.44 mm−1

T = 296 K

0.40 × 0.32 × 0.22 mm

Data collection

Bruker APEXII CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2007 ▶) T min = 0.913, T max = 1.000

3481 measured reflections

1076 independent reflections

1041 reflections with I > 2σ(I)

R int = 0.013

Refinement

R[F 2 > 2σ(F 2)] = 0.020

wR(F 2) = 0.055

S = 1.11

1076 reflections

79 parameters

H-atom parameters constrained

Δρmax = 0.19 e Å−3

Δρmin = −0.32 e Å−3

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: APEX2 and SAINT (Bruker, 2007 ▶); 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 and PLATON (Spek, 2009 ▶).

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S160053681104671X/zs2159sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S160053681104671X/zs2159Isup2.hkl

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

[ZnCl2(C11H8N2O)]	F(000) = 640
Mr = 320.46	Dx = 1.748 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 254 reflections
a = 9.9266 (7) Å	θ = 2.6–25.0°
b = 15.5724 (10) Å	µ = 2.44 mm−1
c = 7.8963 (6) Å	T = 296 K
β = 93.878 (4)°	Block, colorless
V = 1217.82 (15) Å3	0.40 × 0.32 × 0.22 mm
Z = 4

Bruker APEXII CCD area-detector diffractometer	1076 independent reflections
Radiation source: fine-focus sealed tube	1041 reflections with I > 2σ(I)
graphite	Rint = 0.013
ω scans	θmax = 25.0°, θmin = 2.6°
Absorption correction: multi-scan (SADABS; Bruker, 2007)	h = −11→11
Tmin = 0.913, Tmax = 1.000	k = −16→18
3481 measured reflections	l = −9→9

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)] = 0.020	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.055	H-atom parameters constrained
S = 1.11	w = 1/[σ2(Fo2) + (0.0332P)2 + 0.7286P] P = (Fo2 + 2Fc2)/3
1076 reflections	(Δ/σ)max < 0.001
79 parameters	Δρmax = 0.19 e Å−3
0 restraints	Δρmin = −0.32 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
Zn1	0.5000	0.296457 (17)	0.7500	0.03157 (13)
Cl1	0.35267 (5)	0.36506 (3)	0.57611 (6)	0.04896 (16)
N1	0.59607 (15)	0.20836 (9)	0.60337 (18)	0.0307 (3)
C2	0.77431 (19)	0.10656 (14)	0.5838 (3)	0.0444 (5)
H2A	0.8584	0.0862	0.6246	0.053*
C1	0.71626 (19)	0.17586 (13)	0.6597 (2)	0.0380 (4)
H1A	0.7621	0.2011	0.7535	0.046*
C3	0.7061 (2)	0.06820 (13)	0.4475 (2)	0.0411 (5)
H3A	0.7422	0.0203	0.3966	0.049*
C4	0.58196 (18)	0.10157 (11)	0.3857 (2)	0.0311 (4)
C5	0.53146 (17)	0.17218 (11)	0.4663 (2)	0.0299 (4)
H5A	0.4497	0.1955	0.4242	0.036*
C6	0.5000	0.05441 (16)	0.2500	0.0340 (5)
O1	0.5000	−0.02376 (12)	0.2500	0.0499 (5)

	U11	U22	U33	U12	U13	U23
Zn1	0.0417 (2)	0.02859 (19)	0.02354 (17)	0.000	−0.00413 (12)	0.000
Cl1	0.0606 (3)	0.0468 (3)	0.0376 (3)	0.0161 (2)	−0.0108 (2)	0.0043 (2)
N1	0.0368 (8)	0.0304 (8)	0.0245 (7)	−0.0003 (6)	−0.0006 (6)	0.0026 (5)
C2	0.0372 (10)	0.0514 (12)	0.0442 (11)	0.0107 (9)	0.0001 (8)	0.0125 (9)
C1	0.0397 (10)	0.0429 (10)	0.0307 (9)	−0.0023 (8)	−0.0033 (8)	0.0076 (8)
C3	0.0505 (11)	0.0366 (10)	0.0373 (10)	0.0142 (8)	0.0112 (8)	0.0071 (8)
C4	0.0428 (10)	0.0275 (9)	0.0236 (8)	0.0026 (7)	0.0057 (7)	0.0056 (6)
C5	0.0349 (9)	0.0288 (9)	0.0257 (8)	0.0025 (7)	0.0001 (7)	0.0037 (7)
C6	0.0494 (14)	0.0271 (13)	0.0268 (12)	0.000	0.0121 (10)	0.000
O1	0.0798 (15)	0.0254 (10)	0.0452 (11)	0.000	0.0094 (10)	0.000

Zn1—N1i	2.0692 (15)	C1—H1A	0.9300
Zn1—N1	2.0692 (15)	C3—C4	1.395 (3)
Zn1—Cl1i	2.2123 (5)	C3—H3A	0.9300
Zn1—Cl1	2.2123 (5)	C4—C5	1.382 (2)
N1—C5	1.344 (2)	C4—C6	1.494 (2)
N1—C1	1.344 (2)	C5—H5A	0.9300
C2—C3	1.369 (3)	C6—O1	1.217 (3)
C2—C1	1.379 (3)	C6—C4ii	1.494 (2)
C2—H2A	0.9300
N1i—Zn1—N1	96.94 (8)	C2—C1—H1A	118.7
N1i—Zn1—Cl1i	106.45 (4)	C2—C3—C4	119.40 (18)
N1—Zn1—Cl1i	110.92 (4)	C2—C3—H3A	120.3
N1i—Zn1—Cl1	110.92 (4)	C4—C3—H3A	120.3
N1—Zn1—Cl1	106.45 (4)	C5—C4—C3	118.33 (17)
Cl1i—Zn1—Cl1	122.25 (3)	C5—C4—C6	121.66 (15)
C5—N1—C1	118.25 (15)	C3—C4—C6	119.56 (16)
C5—N1—Zn1	121.04 (12)	N1—C5—C4	122.45 (16)
C1—N1—Zn1	119.81 (12)	N1—C5—H5A	118.8
C3—C2—C1	118.92 (17)	C4—C5—H5A	118.8
C3—C2—H2A	120.5	O1—C6—C4	119.45 (10)
C1—C2—H2A	120.5	O1—C6—C4ii	119.45 (10)
N1—C1—C2	122.60 (17)	C4—C6—C4ii	121.1 (2)
N1—C1—H1A	118.7
N1i—Zn1—N1—C5	83.07 (13)	C2—C3—C4—C5	−0.7 (3)
Cl1i—Zn1—N1—C5	−166.32 (11)	C2—C3—C4—C6	−173.16 (16)
Cl1—Zn1—N1—C5	−31.20 (13)	C1—N1—C5—C4	2.2 (2)
N1i—Zn1—N1—C1	−85.85 (13)	Zn1—N1—C5—C4	−166.90 (12)
Cl1i—Zn1—N1—C1	24.76 (14)	C3—C4—C5—N1	−1.4 (2)
Cl1—Zn1—N1—C1	159.88 (12)	C6—C4—C5—N1	170.88 (15)
C5—N1—C1—C2	−0.9 (3)	C5—C4—C6—O1	−136.51 (12)
Zn1—N1—C1—C2	168.33 (14)	C3—C4—C6—O1	35.68 (17)
C3—C2—C1—N1	−1.2 (3)	C5—C4—C6—C4ii	43.49 (12)
C1—C2—C3—C4	1.9 (3)	C3—C4—C6—C4ii	−144.32 (17)