catena-Poly[[diaqua­dipyridine­zinc(II)]-μ-succinato]

In the title compound, [Zn(C₄H₄O₄)(C₅H₅N)₂(H₂O)₂]_n, the Zn^II ion (site symmetry ) is coordinated in an octahedral geometry by two pyridine mol­ecules, two water mol­ecules and two bridging centrosymmetric O-monodentate succinate dianions to create one-dimensional polymeric chains. The chains are cross-linked by O—H...O hydrogen bonds, forming sheets.

Key indicators

• Single-crystal X-ray study
• T = 273 K
• Mean [sigma](C-C) = 0.008 Å
• R factor = 0.066
• wR factor = 0.108
• Data-to-parameter ratio = 13.1

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PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct...          7
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          8

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S1. Comment

The molecular structure of the title compound, (I), (Fig. 1), consists of zinc(II) ions linked through succinate bridges to create one-dimensional polymeric chains. Each Zn^II ion (site symmetry 1) is further coordinated by two pyridine molecules and two water molecules resulting in a slightly distorted trans-ZnN₂O₄ octahedral geometry (Table 1).

The coordinated water molecules form both intrachain O—H···O hydrogen bonds with the uncoordinated carboxyl group of a succinate ligand within the chain and intermolecular hydrogen bond with those in an adjacent chain (Fig. 2, Table 2). For a related structure, see Ohmura et al. (2003).

Related literature

For a related structure containing fumarate ions, see: Ohmura et al. (2003).

S2. Experimental

A pyridine solution (10 ml) of succinic acid (0.116 g, 1 mmol) was added to an aqueous solution (10 ml) of zinc acetate dihydrate (0.148 g, 0.673 mmol). The mixture was then allowed to stand for several days at room temperature, after which colourless blocks of (I) precipitated.

S3. Refinement

All the H atoms except H3A were located in a difference map and their positions and U_iso values were freely refined. H3A was geometrically placed (O—H = 0.82 Å) and refined as riding with U_iso(H) = 1.5 U_eq(H).

Computing details

Data collection: COLLECT (Hooft, 1998); cell refinement: DENZO (Otwinowski and Minor, 1997) and COLLECT (Hooft, 1998); data reduction: DENZO (Otwinowski and Minor, 1997) and COLLECT (Hooft, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: Mercury (Macrae et al., 2006); software used to prepare material for publication: Mercury (Macrae et al., 2006) and local program.

Figures

	Fig. 1. A fragment of the polymeric chain in (I) showing 50% displacement ellipsoids (arbitrary spheres for the H atoms). Symmetry codes: (i) 1 - x, -y, 1 - z; (ii) 1 - x, 1 - y, 1 - z; (iii) x, y + 1, z.
	Fig. 2. The packing in (I) viewed along the b axis with hydrogen bonds indicated by dashed lines.

catena-Poly[[diaquadipyridinezinc(II)]-µ-succinato]

Crystal data

[Zn(C4H4O4)(C5H5N)2(H2O)2]	F(000) = 776
Mr = 375.67	Dx = 1.583 Mg m^−3
Orthorhombic, Pbca	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2ab	Cell parameters from 2052 reflections
a = 11.8142 (8) Å	θ = 2.9–27.5°
b = 8.9111 (7) Å	µ = 1.59 mm^−1
c = 14.9705 (10) Å	T = 273 K
V = 1576.06 (19) Å^3	Block, colourless
Z = 4	0.08 × 0.08 × 0.04 mm

Data collection

Bruker–Nonious APEXII CCD camera on κ-goniostat diffractometer	1814 independent reflections
Radiation source: fine-focus sealed tube	1200 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.067
Detector resolution: 4096x4096pixels / 62x62mm pixels mm^-1	θmax = 27.6°, θmin = 3.2°
ϕ and ω scans	h = −15→15
Absorption correction: multi-scan (SADABS; Sheldrick, 2007)	k = −11→10
Tmin = 0.804, Tmax = 0.931	l = −19→17
9256 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.065	Hydrogen site location: difmap and geom
wR(F^2) = 0.108	H atoms treated by a mixture of independent and constrained refinement
S = 1.13	w = 1/[σ^2(Fo^2) + 9.8897P] where P = (Fo^2 + 2Fc^2)/3
1814 reflections	(Δ/σ)max < 0.001
138 parameters	Δρmax = 0.55 e Å^−3
0 restraints	Δρmin = −0.46 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Zn1	0.5000	0.0000	0.5000	0.0147 (2)
O3	0.6625 (3)	0.0017 (4)	0.4416 (2)	0.0186 (7)
H3A	0.6910	0.0850	0.4477	0.028*
O2	0.5136 (3)	0.2237 (4)	0.5340 (2)	0.0179 (7)
O1	0.6873 (3)	0.2905 (4)	0.4901 (2)	0.0229 (8)
C3	0.3411 (5)	0.1656 (6)	0.2097 (4)	0.0290 (13)
C2	0.4391 (5)	0.2285 (6)	0.2438 (4)	0.0254 (12)
C5	0.3356 (4)	0.0065 (7)	0.3386 (3)	0.0206 (10)
C6	0.5888 (4)	0.3201 (5)	0.5168 (3)	0.0172 (10)
N1	0.4308 (3)	0.0673 (4)	0.3719 (3)	0.0156 (8)
C1	0.4810 (4)	0.1762 (6)	0.3235 (3)	0.0199 (11)
C7	0.5529 (4)	0.4835 (6)	0.5275 (4)	0.0224 (11)
C4	0.2892 (5)	0.0528 (7)	0.2586 (4)	0.0279 (13)
H4	0.224 (5)	0.010 (6)	0.243 (3)	0.025 (15)*
H1	0.549 (4)	0.205 (6)	0.345 (3)	0.018 (13)*
H3	0.308 (5)	0.199 (7)	0.154 (4)	0.035 (17)*
H5	0.304 (4)	−0.066 (6)	0.376 (4)	0.026 (15)*
H2	0.476 (5)	0.295 (6)	0.209 (4)	0.028 (16)*
H7A	0.540 (4)	0.492 (6)	0.591 (4)	0.018 (13)*
H7	0.616 (4)	0.549 (5)	0.514 (3)	0.014 (13)*
H3B	0.694 (5)	−0.064 (7)	0.459 (4)	0.04 (2)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Zn1	0.0146 (3)	0.0125 (3)	0.0169 (4)	0.0005 (4)	0.0010 (3)	0.0002 (4)
O3	0.0190 (16)	0.0113 (16)	0.0254 (18)	0.0048 (18)	0.0012 (13)	0.0012 (17)
O2	0.0192 (16)	0.0116 (16)	0.0229 (16)	−0.0006 (14)	0.0033 (14)	0.0022 (14)
O1	0.0160 (15)	0.0137 (18)	0.039 (2)	−0.0010 (17)	0.0048 (15)	0.0000 (13)
C3	0.041 (3)	0.026 (3)	0.020 (3)	0.004 (2)	−0.012 (2)	0.001 (3)
C2	0.036 (3)	0.021 (3)	0.019 (3)	0.000 (2)	0.004 (2)	−0.006 (2)
C5	0.019 (2)	0.022 (3)	0.021 (2)	0.000 (3)	0.0002 (18)	0.001 (2)
C6	0.019 (2)	0.015 (2)	0.018 (3)	0.003 (2)	−0.0046 (18)	0.0011 (19)
N1	0.0181 (19)	0.012 (2)	0.017 (2)	0.0011 (17)	0.0012 (16)	0.0016 (17)
C1	0.020 (3)	0.018 (3)	0.022 (3)	−0.001 (2)	−0.002 (2)	−0.001 (2)
C7	0.020 (2)	0.014 (3)	0.034 (3)	−0.001 (2)	−0.005 (2)	−0.003 (2)
C4	0.028 (3)	0.026 (3)	0.029 (3)	0.003 (3)	−0.007 (2)	−0.005 (3)

Geometric parameters (Å, º)

Zn1—O2	2.064 (3)	C2—C1	1.374 (7)
Zn1—O2^i	2.064 (3)	C2—H2	0.90 (6)
Zn1—O3^i	2.110 (3)	C5—N1	1.345 (6)
Zn1—O3	2.110 (3)	C5—C4	1.379 (7)
Zn1—N1^i	2.170 (4)	C5—H5	0.93 (6)
Zn1—N1	2.170 (4)	C6—C7	1.525 (7)
O3—H3A	0.8200	N1—C1	1.348 (6)
O3—H3B	0.74 (6)	C1—H1	0.90 (5)
O2—C6	1.263 (6)	C7—C7^ii	1.526 (9)
O1—C6	1.258 (5)	C7—H7A	0.97 (5)
C3—C2	1.383 (8)	C7—H7	0.97 (5)
C3—C4	1.387 (8)	C4—H4	0.89 (6)
C3—H3	0.96 (6)
O2—Zn1—O2^i	180.0	C1—C2—H2	123 (4)
O2—Zn1—O3^i	88.60 (13)	C3—C2—H2	118 (4)
O2^i—Zn1—O3^i	91.40 (13)	N1—C5—C4	122.2 (5)
O2—Zn1—O3	91.40 (13)	N1—C5—H5	113 (3)
O2^i—Zn1—O3	88.60 (13)	C4—C5—H5	125 (3)
O3^i—Zn1—O3	180.0	O1—C6—O2	124.9 (4)
O2—Zn1—N1^i	91.12 (14)	O1—C6—C7	119.4 (4)
O2^i—Zn1—N1^i	88.88 (14)	O2—C6—C7	115.7 (4)
O3^i—Zn1—N1^i	88.53 (14)	C5—N1—C1	117.3 (4)
O3—Zn1—N1^i	91.47 (14)	C5—N1—Zn1	122.1 (3)
O2—Zn1—N1	88.88 (14)	C1—N1—Zn1	120.5 (3)
O2^i—Zn1—N1	91.12 (14)	N1—C1—C2	123.5 (5)
O3^i—Zn1—N1	91.47 (14)	N1—C1—H1	114 (3)
O3—Zn1—N1	88.53 (14)	C2—C1—H1	122 (3)
N1^i—Zn1—N1	180	C6—C7—C7^ii	110.8 (5)
Zn1—O3—H3A	109.5	C6—C7—H7A	103 (3)
Zn1—O3—H3B	108 (5)	C7^ii—C7—H7A	112 (3)
H3A—O3—H3B	118.2	C6—C7—H7	110 (3)
C6—O2—Zn1	131.5 (3)	C7^ii—C7—H7	114 (3)
C2—C3—C4	118.0 (5)	H7A—C7—H7	106 (4)
C2—C3—H3	122 (3)	C5—C4—C3	120.0 (5)
C4—C3—H3	120 (3)	C5—C4—H4	116 (3)
C1—C2—C3	118.9 (5)	C3—C4—H4	124 (4)
O3^i—Zn1—O2—C6	−174.6 (4)	O3—Zn1—N1—C5	137.5 (4)
O3—Zn1—O2—C6	5.4 (4)	O2—Zn1—N1—C1	47.0 (4)
N1^i—Zn1—O2—C6	96.9 (4)	O2^i—Zn1—N1—C1	−133.0 (4)
N1—Zn1—O2—C6	−83.1 (4)	O3^i—Zn1—N1—C1	135.6 (4)
C4—C3—C2—C1	0.5 (8)	O3—Zn1—N1—C1	−44.4 (4)
Zn1—O2—C6—O1	−16.8 (7)	C5—N1—C1—C2	1.0 (7)
Zn1—O2—C6—C7	161.3 (3)	Zn1—N1—C1—C2	−177.2 (4)
C4—C5—N1—C1	−0.5 (7)	C3—C2—C1—N1	−1.0 (8)
C4—C5—N1—Zn1	177.6 (4)	O1—C6—C7—C7^ii	123.7 (6)
O2—Zn1—N1—C5	−131.1 (4)	O2—C6—C7—C7^ii	−54.5 (7)
O2^i—Zn1—N1—C5	48.9 (4)	N1—C5—C4—C3	0.1 (9)
O3^i—Zn1—N1—C5	−42.5 (4)	C2—C3—C4—C5	−0.1 (9)

Symmetry codes: (i) −x+1, −y, −z+1; (ii) −x+1, −y+1, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H3A···O1	0.82	1.94	2.690 (5)	152
O3—H3B···O1^iii	0.74 (6)	1.97 (6)	2.687 (5)	164 (5)

Symmetry code: (iii) −x+3/2, y−1/2, z.