catena-Poly[[(acetato-κO)[4-(1H-pyrazol-3-yl)pyridine-κN]zinc]-μ-acetato-κO:O'].

In the title compound, [Zn(CH(3)CO(2))(2)(C(8)H(7)N(3))](n), the Zn(II) atom is coordinated by one N atom from a 4-(1H-pyrazol-3-yl)pyridine ligand and three O atoms from two bridging and one terminal acetate ligands, forming a distorted tetra-hedral geometry. The bridging acetate ligands link the Zn atoms into a chain along [001]. N-H⋯O hydrogen bonds and π-π inter-actions between the pyridine and pyrazole rings [centroid-centroid distance = 3.927 (3) Å] connect the chains into a layer parallel to (011).

Related literature

For background to complexes of 4-(1H-pyrazol-3-yl)pyridine, see: Davies et al. (2005 ▶). For the synthesis of the ligand, see: Davies et al. (2003 ▶).

Experimental

Crystal data

[Zn(C2H3O2)2(C8H7N3)]

M = 322.58

Monoclinic,

a = 16.371 (3) Å

b = 8.8526 (18) Å

c = 9.5041 (19) Å

β = 94.18 (3)°

V = 1373.7 (5) Å3

Z = 4

Mo Kα radiation

μ = 1.80 mm−1

T = 293 K

0.28 × 0.23 × 0.19 mm

Data collection

Rigaku SCXmini CCD diffractometer

Absorption correction: multi-scan (CrystalClear; Rigaku, 2005 ▶) T min = 0.632, T max = 0.726

11822 measured reflections

2479 independent reflections

1957 reflections with I > 2σ(I)

R int = 0.068

Refinement

R[F 2 > 2σ(F 2)] = 0.056

wR(F 2) = 0.131

S = 1.06

2479 reflections

181 parameters

H-atom parameters constrained

Δρmax = 0.51 e Å−3

Δρmin = −0.54 e Å−3

Data collection: CrystalClear (Rigaku, 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: ORTEPII (Johnson, 1976 ▶) and DIAMOND (Brandenburg, 1999 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536811040190/hy2465sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811040190/hy2465Isup2.hkl

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

[Zn(C2H3O2)2(C8H7N3)]	F(000) = 648
Mr = 322.58	Dx = 1.560 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 11614 reflections
a = 16.371 (3) Å	θ = 3.2–27.6°
b = 8.8526 (18) Å	µ = 1.80 mm−1
c = 9.5041 (19) Å	T = 293 K
β = 94.18 (3)°	Block, colourless
V = 1373.7 (5) Å3	0.28 × 0.23 × 0.19 mm
Z = 4

Rigaku SCXmini CCD diffractometer	2479 independent reflections
Radiation source: fine-focus sealed tube	1957 reflections with I > 2σ(I)
graphite	Rint = 0.068
ω scans	θmax = 25.2°, θmin = 3.2°
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005)	h = −19→19
Tmin = 0.632, Tmax = 0.726	k = −10→10
11822 measured reflections	l = −11→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)] = 0.056	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.131	H-atom parameters constrained
S = 1.06	w = 1/[σ2(Fo2) + (0.063P)2 + 1.9274P] where P = (Fo2 + 2Fc2)/3
2479 reflections	(Δ/σ)max < 0.001
181 parameters	Δρmax = 0.51 e Å−3
0 restraints	Δρmin = −0.54 e Å−3

	x	y	z	Uiso*/Ueq
Zn1	0.34131 (3)	0.68665 (6)	1.02084 (6)	0.0343 (2)
N1	0.2233 (2)	0.7526 (5)	0.9820 (4)	0.0348 (9)
C3	0.0573 (3)	0.8142 (5)	0.9123 (5)	0.0325 (11)
C4	0.0820 (3)	0.6924 (5)	0.9969 (5)	0.0362 (11)
H4	0.0430	0.6294	1.0325	0.043*
C5	0.1635 (3)	0.6647 (6)	1.0280 (5)	0.0372 (12)
H5	0.1784	0.5813	1.0836	0.045*
C1	0.1992 (3)	0.8734 (6)	0.9045 (5)	0.0403 (12)
H1	0.2393	0.9371	0.8736	0.048*
C2	0.1192 (3)	0.9082 (5)	0.8682 (5)	0.0365 (12)
H2	0.1059	0.9938	0.8146	0.044*
N3	−0.1561 (3)	0.7919 (5)	0.8372 (5)	0.0491 (12)
H3	−0.2025	0.7466	0.8393	0.059*
C6	−0.0297 (3)	0.8401 (5)	0.8676 (5)	0.0331 (11)
N2	−0.0849 (3)	0.7342 (5)	0.8937 (5)	0.0454 (11)
C7	−0.0660 (3)	0.9619 (6)	0.7937 (5)	0.0438 (13)
H7	−0.0402	1.0480	0.7624	0.053*
C8	−0.1469 (3)	0.9277 (7)	0.7774 (6)	0.0495 (14)
H8	−0.1880	0.9870	0.7333	0.059*
O3	0.4195 (2)	0.8246 (4)	0.9418 (3)	0.0453 (9)
O1	0.3590 (2)	0.4837 (4)	0.9518 (4)	0.0500 (10)
O2	0.2878 (2)	0.3956 (4)	1.1226 (4)	0.0501 (10)
C9	0.3292 (3)	0.3761 (6)	1.0208 (6)	0.0405 (12)
C10	0.3494 (5)	0.2163 (7)	0.9709 (8)	0.072 (2)
C11	0.4183 (3)	0.8446 (5)	0.8100 (5)	0.0334 (11)
C12	0.4840 (3)	0.9438 (7)	0.7551 (6)	0.0578 (17)
O4	0.3643 (2)	0.7841 (4)	0.7269 (3)	0.0373 (8)

	U11	U22	U33	U12	U13	U23
Zn1	0.0330 (3)	0.0415 (4)	0.0283 (3)	−0.0030 (3)	0.0026 (2)	−0.0012 (3)
N1	0.035 (2)	0.039 (2)	0.030 (2)	−0.004 (2)	0.0011 (18)	−0.0030 (19)
C3	0.034 (3)	0.034 (3)	0.030 (3)	0.003 (2)	0.005 (2)	−0.005 (2)
C4	0.039 (3)	0.034 (3)	0.036 (3)	−0.004 (2)	0.007 (2)	0.008 (2)
C5	0.040 (3)	0.041 (3)	0.030 (3)	0.003 (2)	0.003 (2)	0.006 (2)
C1	0.040 (3)	0.041 (3)	0.040 (3)	−0.010 (2)	0.004 (2)	0.003 (2)
C2	0.042 (3)	0.032 (3)	0.036 (3)	0.001 (2)	0.005 (2)	0.007 (2)
N3	0.032 (2)	0.053 (3)	0.061 (3)	−0.001 (2)	−0.002 (2)	0.007 (2)
C6	0.037 (3)	0.031 (3)	0.031 (3)	0.000 (2)	0.004 (2)	0.000 (2)
N2	0.034 (3)	0.039 (3)	0.063 (3)	−0.004 (2)	0.003 (2)	0.008 (2)
C7	0.045 (3)	0.043 (3)	0.043 (3)	−0.002 (3)	0.000 (2)	0.010 (3)
C8	0.042 (3)	0.054 (4)	0.052 (3)	0.009 (3)	−0.001 (3)	0.010 (3)
O3	0.048 (2)	0.061 (2)	0.0267 (19)	−0.0171 (18)	0.0011 (15)	0.0038 (17)
O1	0.068 (3)	0.038 (2)	0.046 (2)	−0.0065 (19)	0.0162 (19)	−0.0039 (17)
O2	0.044 (2)	0.046 (2)	0.062 (3)	−0.0055 (18)	0.0122 (19)	0.0023 (19)
C9	0.036 (3)	0.042 (3)	0.042 (3)	−0.004 (2)	−0.008 (2)	−0.001 (3)
C10	0.094 (5)	0.037 (4)	0.086 (5)	0.005 (3)	0.006 (4)	−0.013 (3)
C11	0.036 (3)	0.035 (3)	0.030 (3)	0.002 (2)	0.004 (2)	0.001 (2)
C12	0.047 (3)	0.075 (4)	0.052 (4)	−0.023 (3)	0.005 (3)	0.015 (3)
O4	0.042 (2)	0.044 (2)	0.0258 (17)	−0.0044 (16)	0.0040 (15)	−0.0009 (15)

Zn1—N1	2.026 (4)	N3—C8	1.344 (7)
Zn1—O1	1.942 (4)	N3—N2	1.348 (6)
Zn1—O3	1.958 (3)	N3—H3	0.8600
Zn1—O4i	1.984 (3)	C6—N2	1.338 (6)
N1—C1	1.341 (6)	C6—C7	1.395 (7)
N1—C5	1.348 (6)	C7—C8	1.356 (7)
C3—C4	1.387 (6)	C7—H7	0.9300
C3—C2	1.398 (7)	C8—H8	0.9300
C3—C6	1.475 (7)	O3—C11	1.264 (6)
C4—C5	1.368 (7)	O1—C9	1.274 (6)
C4—H4	0.9300	O2—C9	1.233 (6)
C5—H5	0.9300	C9—C10	1.536 (8)
C1—C2	1.365 (7)	C11—O4	1.261 (5)
C1—H1	0.9300	C11—C12	1.510 (7)
C2—H2	0.9300
O1—Zn1—O3	109.25 (16)	C3—C2—H2	120.2
O1—Zn1—O4i	115.59 (15)	C8—N3—N2	112.7 (4)
O3—Zn1—O4i	102.40 (14)	C8—N3—H3	123.6
O1—Zn1—N1	111.65 (17)	N2—N3—H3	123.6
O3—Zn1—N1	113.05 (16)	N2—C6—C7	111.5 (4)
O4i—Zn1—N1	104.60 (15)	N2—C6—C3	119.3 (4)
C1—N1—C5	116.5 (4)	C7—C6—C3	129.2 (4)
C1—N1—Zn1	124.6 (3)	C6—N2—N3	103.7 (4)
C5—N1—Zn1	118.7 (3)	C8—C7—C6	105.1 (5)
C4—C3—C2	116.7 (4)	C8—C7—H7	127.4
C4—C3—C6	121.4 (4)	C6—C7—H7	127.4
C2—C3—C6	121.8 (4)	N3—C8—C7	106.9 (5)
C5—C4—C3	120.2 (4)	N3—C8—H8	126.5
C5—C4—H4	119.9	C7—C8—H8	126.5
C3—C4—H4	119.9	C11—O3—Zn1	120.3 (3)
N1—C5—C4	123.1 (5)	C9—O1—Zn1	116.5 (3)
N1—C5—H5	118.4	O2—C9—O1	123.5 (5)
C4—C5—H5	118.4	O2—C9—C10	121.0 (5)
N1—C1—C2	123.9 (5)	O1—C9—C10	115.5 (5)
N1—C1—H1	118.1	O4—C11—O3	121.4 (4)
C2—C1—H1	118.1	O4—C11—C12	121.0 (4)
C1—C2—C3	119.5 (5)	O3—C11—C12	117.6 (4)
C1—C2—H2	120.2	C11—O4—Zn1ii	129.6 (3)

D—H···A	D—H	H···A	D···A	D—H···A
N3—H3···O2iii	0.86	1.93	2.769 (6)	163

Table 1

Selected bond lengths (Å)

Zn1—N1	2.026 (4)
Zn1—O1	1.942 (4)
Zn1—O3	1.958 (3)
Zn1—O4i	1.984 (3)

Symmetry code: (i) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N3—H3⋯O2ii	0.86	1.93	2.769 (6)	163

Symmetry code: (ii) .