Acta Cryst. (2008). E64, m560 [ doi:10.1107/S1600536808006764 ]
![[mu]](/logos/entities/mu_rmgif.gif)
-succinato]In the title compound, [Zn(C4H4O4)(C5H5N)2(H2O)2]n, the ZnII 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.
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.
All the H atoms except H3A were located in a difference map and their positions and Uiso values were freely refined. H3A was geometrically placed (O—H = 0.82 Å) and refined as riding with Uiso(H) = 1.5 Ueq(H).
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.
![[Figure 1]](./hb2701fig1thm.gif)
| 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. |
![[Figure 2]](./hb2701fig2thm.gif)
| Fig. 2. The packing in (I) viewed along the b axis with hydrogen bonds indicated by dashed lines. |
| [Zn(C4H4O4)(C5H5N)2(H2O)2] | F000 = 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 = 2.9–27.5º |
| b = 8.9111 (7) Å | µ = 1.59 mm−1 |
| c = 14.9705 (10) Å | T = 273 (2) K |
| V = 1576.06 (19) Å3 | Block, colourless |
| Z = 4 | 0.08 × 0.08 × 0.04 mm |
| Bruker–Nonious APEXII CCD camera on κ-goniostat diffractometer | 1814 independent reflections |
| Radiation source: fine-focus sealed tube | 1200 reflections with I > 2σ(I) |
| Monochromator: graphite | Rint = 0.067 |
| Detector resolution: 4096x4096pixels / 62x62mm pixels mm-1 | θmax = 27.6º |
| T = 273(2) K | θmin = 3.2º |
| 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 on F2 | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: difmap and geom |
| R[F2 > 2σ(F2)] = 0.065 | H atoms treated by a mixture of independent and constrained refinement |
| wR(F2) = 0.108 | w = 1/[σ2(Fo2) + 9.8897P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.13 | (Δ/σ)max < 0.001 |
| 1814 reflections | Δρmax = 0.55 e Å−3 |
| 138 parameters | Δρmin = −0.45 e Å−3 |
| Primary atom site location: structure-invariant direct methods | Extinction correction: none |
| [Zn(C4H4O4)(C5H5N)2(H2O)2] | V = 1576.06 (19) Å3 |
| Mr = 375.67 | Z = 4 |
| Orthorhombic, Pbca | Mo Kα |
| a = 11.8142 (8) Å | µ = 1.59 mm−1 |
| b = 8.9111 (7) Å | T = 273 (2) K |
| c = 14.9705 (10) Å | 0.08 × 0.08 × 0.04 mm |
| Bruker–Nonious APEXII CCD camera on κ-goniostat diffractometer | 1814 independent reflections |
| Absorption correction: multi-scan (SADABS; Sheldrick, 2007) | 1200 reflections with I > 2σ(I) |
| Tmin = 0.804, Tmax = 0.931 | Rint = 0.067 |
| 9256 measured reflections |
| R[F2 > 2σ(F2)] = 0.065 | 138 parameters |
| wR(F2) = 0.108 | H atoms treated by a mixture of independent and constrained refinement |
| S = 1.13 | Δρmax = 0.55 e Å−3 |
| 1814 reflections | Δρmin = −0.45 e Å−3 |
| 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)* |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| 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) |
| Zn1—O2 | 2.064 (3) | C2—C1 | 1.374 (7) |
| Zn1—O2i | 2.064 (3) | C2—H2 | 0.90 (6) |
| Zn1—O3i | 2.110 (3) | C5—N1 | 1.345 (6) |
| Zn1—O3 | 2.110 (3) | C5—C4 | 1.379 (7) |
| Zn1—N1i | 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—C7ii | 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—O2i | 180.0 | C1—C2—H2 | 123 (4) |
| O2—Zn1—O3i | 88.60 (13) | C3—C2—H2 | 118 (4) |
| O2i—Zn1—O3i | 91.40 (13) | N1—C5—C4 | 122.2 (5) |
| O2—Zn1—O3 | 91.40 (13) | N1—C5—H5 | 113 (3) |
| O2i—Zn1—O3 | 88.60 (13) | C4—C5—H5 | 125 (3) |
| O3i—Zn1—O3 | 180.0 | O1—C6—O2 | 124.9 (4) |
| O2—Zn1—N1i | 91.12 (14) | O1—C6—C7 | 119.4 (4) |
| O2i—Zn1—N1i | 88.88 (14) | O2—C6—C7 | 115.7 (4) |
| O3i—Zn1—N1i | 88.53 (14) | C5—N1—C1 | 117.3 (4) |
| O3—Zn1—N1i | 91.47 (14) | C5—N1—Zn1 | 122.1 (3) |
| O2—Zn1—N1 | 88.88 (14) | C1—N1—Zn1 | 120.5 (3) |
| O2i—Zn1—N1 | 91.12 (14) | N1—C1—C2 | 123.5 (5) |
| O3i—Zn1—N1 | 91.47 (14) | N1—C1—H1 | 114 (3) |
| O3—Zn1—N1 | 88.53 (14) | C2—C1—H1 | 122 (3) |
| N1i—Zn1—N1 | 180 | C6—C7—C7ii | 110.8 (5) |
| Zn1—O3—H3A | 109.5 | C6—C7—H7A | 103 (3) |
| Zn1—O3—H3B | 108 (5) | C7ii—C7—H7A | 112 (3) |
| H3A—O3—H3B | 118.2 | C6—C7—H7 | 110 (3) |
| C6—O2—Zn1 | 131.5 (3) | C7ii—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) |
| O3i—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) |
| N1i—Zn1—O2—C6 | 96.9 (4) | O2i—Zn1—N1—C1 | −133.0 (4) |
| N1—Zn1—O2—C6 | −83.1 (4) | O3i—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—C7ii | 123.7 (6) |
| O2—Zn1—N1—C5 | −131.1 (4) | O2—C6—C7—C7ii | −54.5 (7) |
| O2i—Zn1—N1—C5 | 48.9 (4) | N1—C5—C4—C3 | 0.1 (9) |
| O3i—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. |
| 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···O1iii | 0.74 (6) | 1.97 (6) | 2.687 (5) | 164 (5) |
| Symmetry codes: (iii) −x+3/2, y−1/2, z. |
| Zn1—O2 | 2.064 (3) | Zn1—N1 | 2.170 (4) |
| Zn1—O3 | 2.110 (3) | ||
| O2i—Zn1—N1i | 88.88 (14) |
| Symmetry codes: (i) −x+1, −y, −z+1. |
| 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···O1ii | 0.74 (6) | 1.97 (6) | 2.687 (5) | 164 (5) |
| Symmetry codes: (ii) −x+3/2, y−1/2, z. |
The authors thank the Development and Promotion of Science and Technology Talents fund.
Hooft, R. W. W. (1998). COLLECT. Nonius BV, Delft, The Netherlands.
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453–457.
Ohmura, T., Mori, W., Hasegawa, M., Takai, T., Ikeda, T. & Hasegawa, E. (2003). Bull. Chem. Soc. Jpn, 76, 1387–1395.
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307–326. New York: Academic Press.
Sheldrick, G. M. (2007). SADABS. Brucker AXS Inc., Madison, Wisconsin, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.
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 ZnII 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).