catena-Poly[[diaqua-bis(diphenyl-acetato)-zinc(II)]-μ-4,4'-bipyridine].

In the title compound, [Zn(C(14)H(11)O(2))(2)(C(10)H(8)N(2))(H(2)O)(2)](n), the Zn(II) ion lies on a crystallographic inversion center and is in a slightly distorted octahedral coordination enviroment. 4,4'-Bipyridine ligands act as bridging ligands, connecting Zn(II) ions into a chain along the b-axis direction. In the crystal structure, these chains are linked by inter-molecular O-H⋯O hydrogen bonds to form a two-dimensional network parallel to the ab plane.

Related literature

For background information, see: Janiak (2003 ▶); Moulton & Zaworotko (2001 ▶); Brammer (2004 ▶). For the role of weak noncovalent inter­actions in crystalline architectures, see: Hosseini (2005 ▶); Nishio (2004 ▶).

Experimental

Crystal data

[Zn(C14H11O2)2(C10H8N2)(H2O)2]

M = 680.04

Triclinic,

a = 5.7536 (13) Å

b = 11.882 (3) Å

c = 12.229 (3) Å

α = 98.522 (4)°

β = 103.273 (5)°

γ = 103.450 (4)°

V = 773.2 (3) Å3

Z = 1

Mo Kα radiation

μ = 0.85 mm−1

T = 291 K

0.30 × 0.26 × 0.24 mm

Data collection

Bruker SMART CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.785, T max = 0.823

3891 measured reflections

2679 independent reflections

2234 reflections with I > 2σ(I)

R int = 0.022

Refinement

R[F 2 > 2σ(F 2)] = 0.061

wR(F 2) = 0.135

S = 1.02

2679 reflections

214 parameters

H-atom parameters constrained

Δρmax = 0.23 e Å−3

Δρmin = −0.22 e Å−3

Data collection: SMART (Bruker, 2001 ▶); cell refinement: SAINT (Bruker, 2001 ▶); data reduction: SAIn class="Chemical">NT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809004450/lh2759sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809004450/lh2759Isup2.hkl

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

[Zn(C14H11O2)2(C10H8N2)(H2O)2]	Z = 1
Mr = 680.04	F(000) = 354
Triclinic, P1	Dx = 1.460 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 5.7536 (13) Å	Cell parameters from 924 reflections
b = 11.882 (3) Å	θ = 2.2–20.2°
c = 12.229 (3) Å	µ = 0.85 mm−1
α = 98.522 (4)°	T = 291 K
β = 103.273 (5)°	Block, colorless
γ = 103.450 (4)°	0.30 × 0.26 × 0.24 mm
V = 773.2 (3) Å3

Bruker SMART CCD diffractometer	2679 independent reflections
Radiation source: fine-focus sealed tube	2234 reflections with I > 2σ(I)
graphite	Rint = 0.022
φ and ω scans	θmax = 25.0°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −6→6
Tmin = 0.785, Tmax = 0.823	k = −12→14
3891 measured reflections	l = −14→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)] = 0.061	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.135	H-atom parameters constrained
S = 1.02	w = 1/[σ2(Fo2) + (0.05P)2 + 1.22P] where P = (Fo2 + 2Fc2)/3
2679 reflections	(Δ/σ)max < 0.001
214 parameters	Δρmax = 0.23 e Å−3
0 restraints	Δρmin = −0.22 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
C1	0.5242 (9)	0.7816 (4)	−0.0135 (4)	0.0552 (12)
H1	0.6390	0.7442	0.0197	0.066*
C2	0.4992 (9)	0.7953 (4)	−0.1250 (4)	0.0575 (12)
H2	0.5969	0.7669	−0.1672	0.069*
C3	0.3272 (9)	0.8519 (4)	−0.1754 (4)	0.0540 (11)
H3	0.3106	0.8614	−0.2507	0.065*
C4	0.1819 (9)	0.8936 (4)	−0.1118 (4)	0.0592 (13)
H4	0.0679	0.9317	−0.1441	0.071*
C5	0.2073 (8)	0.8782 (4)	0.0000 (4)	0.0481 (11)
H5	0.1076	0.9052	0.0418	0.058*
C6	0.3773 (8)	0.8238 (4)	0.0501 (4)	0.0544 (12)
C7	0.3955 (8)	0.8080 (4)	0.1714 (4)	0.0528 (12)
H7	0.2720	0.8423	0.1963	0.063*
C8	0.3306 (8)	0.6802 (4)	0.1832 (4)	0.0550 (12)
C9	0.0736 (9)	0.6218 (4)	0.1441 (4)	0.0588 (13)
H9	−0.0450	0.6615	0.1215	0.071*
C10	0.0081 (9)	0.4974 (4)	0.1416 (4)	0.0575 (13)
H10	−0.1592	0.4555	0.1163	0.069*
C11	0.1787 (9)	0.4365 (5)	0.1745 (4)	0.0557 (12)
H11	0.1303	0.3552	0.1695	0.067*
C12	0.4204 (8)	0.4999 (4)	0.2145 (4)	0.0527 (11)
H12	0.5387	0.4609	0.2393	0.063*
C13	0.4981 (10)	0.6189 (4)	0.2200 (4)	0.0552 (12)
H13	0.6662	0.6588	0.2489	0.066*
C14	0.6538 (8)	0.8770 (4)	0.2592 (4)	0.0463 (11)
C15	1.1601 (9)	0.7492 (4)	0.4541 (4)	0.0494 (11)
H15	1.2639	0.7935	0.4184	0.059*
C16	1.1620 (8)	0.6347 (4)	0.4540 (4)	0.0478 (11)
H16	1.2728	0.6045	0.4222	0.057*
C17	1.0046 (9)	0.5634 (4)	0.4995 (4)	0.0510 (11)
C18	0.8504 (9)	0.6187 (4)	0.5508 (4)	0.0489 (11)
H18	0.7424	0.5755	0.5853	0.059*
C19	0.8580 (9)	0.7341 (4)	0.5501 (4)	0.0476 (11)
H19	0.7515	0.7669	0.5829	0.057*
N1	1.0118 (8)	0.8015 (3)	0.5046 (4)	0.0591 (10)
O1	0.6471 (6)	0.9293 (3)	0.3557 (3)	0.0600 (9)
O2	0.8431 (5)	0.8730 (3)	0.2284 (3)	0.0516 (8)
O3	1.2454 (6)	1.0195 (3)	0.3733 (3)	0.0608 (9)
H3B	1.1539	0.9696	0.2994	0.073*
H3C	1.3925	0.9961	0.4024	0.073*
Zn1	1.0000	1.0000	0.5000	0.0473 (3)

	U11	U22	U33	U12	U13	U23
C1	0.053 (3)	0.063 (3)	0.046 (3)	0.020 (2)	0.004 (2)	0.010 (2)
C2	0.053 (3)	0.059 (3)	0.055 (3)	0.003 (2)	0.026 (2)	0.001 (2)
C3	0.051 (3)	0.056 (3)	0.049 (3)	0.008 (2)	0.010 (2)	0.011 (2)
C4	0.053 (3)	0.051 (3)	0.065 (3)	0.011 (2)	−0.007 (2)	0.028 (2)
C5	0.047 (2)	0.046 (2)	0.055 (3)	0.024 (2)	0.008 (2)	0.012 (2)
C6	0.046 (3)	0.052 (3)	0.061 (3)	0.014 (2)	0.012 (2)	0.004 (2)
C7	0.044 (2)	0.061 (3)	0.045 (2)	0.018 (2)	0.001 (2)	0.000 (2)
C8	0.042 (2)	0.051 (3)	0.056 (3)	0.002 (2)	0.006 (2)	−0.008 (2)
C9	0.062 (3)	0.057 (3)	0.050 (3)	0.000 (2)	0.016 (2)	0.013 (2)
C10	0.053 (3)	0.059 (3)	0.048 (3)	−0.013 (2)	0.024 (2)	0.005 (2)
C11	0.060 (3)	0.063 (3)	0.048 (3)	0.018 (2)	0.028 (2)	0.001 (2)
C12	0.049 (3)	0.049 (3)	0.065 (3)	0.016 (2)	0.018 (2)	0.020 (2)
C13	0.063 (3)	0.057 (3)	0.051 (3)	0.019 (2)	0.019 (2)	0.019 (2)
C14	0.039 (2)	0.045 (2)	0.047 (2)	0.0136 (18)	0.0069 (19)	−0.0099 (19)
C15	0.061 (3)	0.047 (3)	0.058 (3)	0.030 (2)	0.027 (2)	0.026 (2)
C16	0.051 (3)	0.057 (3)	0.054 (3)	0.032 (2)	0.025 (2)	0.026 (2)
C17	0.059 (3)	0.043 (2)	0.056 (3)	0.025 (2)	0.015 (2)	0.011 (2)
C18	0.054 (3)	0.058 (3)	0.049 (2)	0.030 (2)	0.019 (2)	0.021 (2)
C19	0.056 (3)	0.041 (2)	0.050 (3)	0.023 (2)	0.010 (2)	0.017 (2)
N1	0.065 (3)	0.044 (2)	0.064 (3)	0.0170 (19)	0.011 (2)	0.0041 (19)
O1	0.0470 (18)	0.067 (2)	0.057 (2)	0.0143 (16)	0.0080 (15)	−0.0010 (16)
O2	0.0419 (17)	0.0550 (19)	0.0550 (18)	0.0178 (14)	0.0141 (14)	−0.0054 (14)
O3	0.058 (2)	0.056 (2)	0.061 (2)	0.0140 (16)	0.0108 (16)	0.0031 (16)
Zn1	0.0440 (4)	0.0420 (4)	0.0436 (4)	0.0021 (3)	0.0025 (3)	0.0020 (3)

C1—C2	1.377 (6)	C12—H12	0.9300
C1—C6	1.398 (6)	C13—H13	0.9300
C1—H1	0.9300	C14—O2	1.240 (5)
C2—C3	1.401 (7)	C14—O1	1.263 (5)
C2—H2	0.9300	C15—C16	1.363 (6)
C3—C4	1.388 (7)	C15—N1	1.368 (6)
C3—H3	0.9300	C15—H15	0.9300
C4—C5	1.385 (6)	C16—C17	1.365 (6)
C4—H4	0.9300	C16—H16	0.9300
C5—C6	1.374 (6)	C17—C18	1.420 (6)
C5—H5	0.9300	C17—C17i	1.497 (8)
C6—C7	1.505 (7)	C18—C19	1.362 (6)
C7—C8	1.514 (7)	C18—H18	0.9300
C7—C14	1.572 (6)	C19—N1	1.328 (6)
C7—H7	0.9800	C19—H19	0.9300
C8—C13	1.373 (7)	N1—Zn1	2.384 (4)
C8—C9	1.413 (6)	O1—Zn1	2.250 (3)
C9—C10	1.432 (7)	O3—Zn1	2.326 (3)
C9—H9	0.9300	O3—H3B	0.9600
C10—C11	1.372 (7)	O3—H3C	0.9600
C10—H10	0.9300	Zn1—O1ii	2.250 (3)
C11—C12	1.354 (7)	Zn1—O3ii	2.326 (3)
C11—H11	0.9300	Zn1—N1ii	2.384 (4)
C12—C13	1.367 (6)
C2—C1—C6	120.1 (5)	C8—C13—H13	119.7
C2—C1—H1	120.0	O2—C14—O1	126.4 (4)
C6—C1—H1	120.0	O2—C14—C7	117.4 (4)
C1—C2—C3	120.3 (5)	O1—C14—C7	116.2 (4)
C1—C2—H2	119.9	C16—C15—N1	122.6 (4)
C3—C2—H2	119.9	C16—C15—H15	118.7
C4—C3—C2	119.3 (4)	N1—C15—H15	118.7
C4—C3—H3	120.3	C15—C16—C17	121.4 (4)
C2—C3—H3	120.3	C15—C16—H16	119.3
C5—C4—C3	119.8 (4)	C17—C16—H16	119.3
C5—C4—H4	120.1	C16—C17—C18	115.3 (4)
C3—C4—H4	120.1	C16—C17—C17i	123.8 (5)
C6—C5—C4	121.1 (5)	C18—C17—C17i	120.9 (5)
C6—C5—H5	119.4	C19—C18—C17	121.1 (4)
C4—C5—H5	119.4	C19—C18—H18	119.4
C5—C6—C1	119.4 (5)	C17—C18—H18	119.4
C5—C6—C7	119.0 (4)	N1—C19—C18	122.5 (4)
C1—C6—C7	121.6 (4)	N1—C19—H19	118.8
C6—C7—C8	114.4 (4)	C18—C19—H19	118.8
C6—C7—C14	113.9 (4)	C19—N1—C15	117.1 (4)
C8—C7—C14	109.1 (4)	C19—N1—Zn1	120.2 (3)
C6—C7—H7	106.3	C15—N1—Zn1	122.6 (3)
C8—C7—H7	106.3	C14—O1—Zn1	119.4 (3)
C14—C7—H7	106.3	Zn1—O3—H3B	109.4
C13—C8—C9	120.2 (5)	Zn1—O3—H3C	109.2
C13—C8—C7	125.6 (4)	H3B—O3—H3C	109.5
C9—C8—C7	114.0 (4)	O1—Zn1—O1ii	180.000 (1)
C8—C9—C10	115.4 (5)	O1—Zn1—O3	92.45 (12)
C8—C9—H9	122.3	O1ii—Zn1—O3	87.55 (12)
C10—C9—H9	122.3	O1—Zn1—O3ii	87.55 (12)
C11—C10—C9	123.6 (5)	O1ii—Zn1—O3ii	92.45 (12)
C11—C10—H10	118.2	O3—Zn1—O3ii	180.000 (1)
C9—C10—H10	118.2	O1—Zn1—N1ii	90.93 (13)
C12—C11—C10	117.1 (5)	O1ii—Zn1—N1ii	89.07 (13)
C12—C11—H11	121.4	O3—Zn1—N1ii	86.86 (13)
C10—C11—H11	121.4	O3ii—Zn1—N1ii	93.14 (13)
C11—C12—C13	122.8 (5)	O1—Zn1—N1	89.07 (13)
C11—C12—H12	118.6	O1ii—Zn1—N1	90.93 (13)
C13—C12—H12	118.6	O3—Zn1—N1	93.14 (13)
C12—C13—C8	120.7 (5)	O3ii—Zn1—N1	86.86 (13)
C12—C13—H13	119.7	N1ii—Zn1—N1	180.000 (2)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H3B···O2	0.96	1.82	2.618 (5)	139
O3—H3C···O1iii	0.96	1.97	2.802 (5)	143

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H3B⋯O2	0.96	1.82	2.618 (5)	139
O3—H3C⋯O1i	0.96	1.97	2.802 (5)	143

Symmetry code: (i) .