Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807052518/hb2591sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807052518/hb2591Isup2.hkl |
CCDC reference: 667230
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.006 Å
- R factor = 0.050
- wR factor = 0.107
- Data-to-parameter ratio = 13.2
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 200 Deg. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 4
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K PLAT794_ALERT_5_G Check Predicted Bond Valency for Zn1 (2) 2.10 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 7
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
A mixture of ZnCl2.2H2O (0.5 mmol), 1,4-H2dbb (0.5 mmol), ibi (0.5 mmol), and H2O (500 mmol) was adjusted to pH = 6.5 by addition of aqueous NaOH solution, and heated at 448 K for three days. After the mixture was slowly cooled to room temperature, colourless blocks of (I) resulted.
All C-bound H atoms were positioned geometrically (C—H = 0.93–0.97 Å) and refined as riding, with Uiso(H) = 1.2Ueq(carrier). The water H-atoms were located in a difference Fourier map, and were freely refined.
As part of the ongoing effort to create new coordinatiom polymer chain structures (Chen & Liu, 2002; Che et al., 2006), we selected 1,4-benzenedioxydiacetic acid (1,4-H2bdd) and 1-(4-(1H-imidazole-l-yl)butyl)-1H-imidazole (ibi) as bridging ligands, in combination with zinc cations, generating a new chain coordination polymer, [Zn2(1,4-bdd)2(ibi)(H2O)2].2H2O, (I), which is reported here.
The selected bond lengths and angles are listed in Table 1. In compound (I), the ZnII atom is six-coordinated by one N atom from one ibi ligand, and five O atoms from two different 1,4-bdd ligands and one water molecule in a very distorted octahedral environment (Fig. 1). As shown in Fig. 2, two 1,4-bdd ligands bridge two ZnII atoms to form a dimer. The dimers are further linked by ibi ligands, forming a chain structure (Fig. 2). Furthermore, the O—H···O hydrogen bonds (Table 2) link the chains together, forming a three-dimensional supramolecular network.
For related literature, see: Chen & Liu (2002); Che et al. (2006).
Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL (Bruker, 1998).
[Zn2(C10H8O6)2(C10H14N4)(H2O)2]·2H2O | Z = 2 |
Mr = 420.69 | F(000) = 434 |
Triclinic, P1 | Dx = 1.653 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 8.9061 (12) Å | Cell parameters from 3252 reflections |
b = 9.8617 (14) Å | θ = 2.0–26.0° |
c = 10.6066 (15) Å | µ = 1.50 mm−1 |
α = 100.014 (2)° | T = 293 K |
β = 94.614 (2)° | Block, colorless |
γ = 111.107 (2)° | 0.19 × 0.19 × 0.18 mm |
V = 845.4 (2) Å3 |
Bruker APEX CCD diffractometer | 3252 independent reflections |
Radiation source: fine-focus sealed tube | 2667 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.027 |
φ and ω scans | θmax = 26.0°, θmin = 2.0° |
Absorption correction: multi-scan (SADABS; Bruker, 1998) | h = −8→10 |
Tmin = 0.745, Tmax = 0.764 | k = −11→12 |
4802 measured reflections | l = −13→12 |
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)] = 0.050 | Hydrogen site location: difmap and geom |
wR(F2) = 0.107 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.07 | w = 1/[σ2(Fo2) + (0.0433P)2 + 0.4041P] where P = (Fo2 + 2Fc2)/3 |
3252 reflections | (Δ/σ)max = 0.001 |
247 parameters | Δρmax = 0.61 e Å−3 |
7 restraints | Δρmin = −0.34 e Å−3 |
[Zn2(C10H8O6)2(C10H14N4)(H2O)2]·2H2O | γ = 111.107 (2)° |
Mr = 420.69 | V = 845.4 (2) Å3 |
Triclinic, P1 | Z = 2 |
a = 8.9061 (12) Å | Mo Kα radiation |
b = 9.8617 (14) Å | µ = 1.50 mm−1 |
c = 10.6066 (15) Å | T = 293 K |
α = 100.014 (2)° | 0.19 × 0.19 × 0.18 mm |
β = 94.614 (2)° |
Bruker APEX CCD diffractometer | 3252 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 1998) | 2667 reflections with I > 2σ(I) |
Tmin = 0.745, Tmax = 0.764 | Rint = 0.027 |
4802 measured reflections |
R[F2 > 2σ(F2)] = 0.050 | 7 restraints |
wR(F2) = 0.107 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.07 | Δρmax = 0.61 e Å−3 |
3252 reflections | Δρmin = −0.34 e Å−3 |
247 parameters |
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 | 0.2172 (5) | 0.6757 (4) | 0.8133 (4) | 0.0243 (9) | |
C2 | 0.2508 (5) | 0.6119 (4) | 0.9271 (4) | 0.0283 (9) | |
H2A | 0.3512 | 0.6809 | 0.9819 | 0.034* | |
H2B | 0.1631 | 0.5985 | 0.9783 | 0.034* | |
C3 | 0.2504 (4) | 0.3788 (4) | 0.9701 (3) | 0.0219 (8) | |
C4 | 0.1930 (5) | 0.3990 (4) | 1.0865 (3) | 0.0239 (9) | |
H4 | 0.1710 | 0.4835 | 1.1153 | 0.029* | |
C5 | 0.1686 (5) | 0.2912 (4) | 1.1597 (4) | 0.0235 (8) | |
H5 | 0.1291 | 0.3035 | 1.2376 | 0.028* | |
C6 | 0.2024 (5) | 0.1649 (4) | 1.1181 (3) | 0.0225 (8) | |
C7 | 0.2670 (5) | 0.1497 (4) | 1.0044 (4) | 0.0260 (9) | |
H7 | 0.2949 | 0.0682 | 0.9777 | 0.031* | |
C8 | 0.2900 (5) | 0.2567 (4) | 0.9304 (4) | 0.0257 (9) | |
H8 | 0.3323 | 0.2460 | 0.8537 | 0.031* | |
C9 | 0.1705 (5) | −0.0791 (4) | 1.1446 (4) | 0.0252 (9) | |
H9A | 0.2825 | −0.0712 | 1.1469 | 0.030* | |
H9B | 0.1173 | −0.1140 | 1.0551 | 0.030* | |
C10 | 0.4694 (5) | 0.4290 (5) | 0.6597 (4) | 0.0338 (10) | |
H10 | 0.5053 | 0.5092 | 0.7305 | 0.041* | |
C11 | 0.5664 (5) | 0.3722 (5) | 0.5957 (4) | 0.0349 (10) | |
H11 | 0.6792 | 0.4049 | 0.6140 | 0.042* | |
C12 | 0.3132 (5) | 0.2476 (4) | 0.5073 (4) | 0.0274 (9) | |
H12 | 0.2210 | 0.1777 | 0.4522 | 0.033* | |
C13 | 0.5125 (5) | 0.1560 (4) | 0.4063 (4) | 0.0308 (10) | |
H13A | 0.6299 | 0.1973 | 0.4099 | 0.037* | |
H13B | 0.4630 | 0.1487 | 0.3192 | 0.037* | |
C14 | 0.4608 (5) | 0.0011 (4) | 0.4346 (4) | 0.0299 (9) | |
H14A | 0.3434 | −0.0399 | 0.4303 | 0.036* | |
H14B | 0.4886 | −0.0625 | 0.3679 | 0.036* | |
C15 | 0.0841 (5) | −0.1884 (4) | 1.2237 (4) | 0.0278 (9) | |
N1 | 0.3108 (4) | 0.3507 (3) | 0.6041 (3) | 0.0252 (7) | |
N2 | 0.4651 (4) | 0.2568 (4) | 0.4986 (3) | 0.0271 (8) | |
O1 | 0.1532 (3) | 0.5861 (3) | 0.7026 (2) | 0.0276 (6) | |
O2 | 0.2463 (4) | 0.8100 (3) | 0.8349 (3) | 0.0329 (7) | |
O1W | −0.0434 (4) | 0.3118 (3) | 0.4941 (3) | 0.0366 (7) | |
O3 | 0.2645 (3) | 0.4722 (3) | 0.8831 (2) | 0.0249 (6) | |
O2W | −0.1611 (4) | 0.0431 (3) | 0.3437 (3) | 0.0366 (7) | |
O4 | 0.1672 (3) | 0.0630 (3) | 1.1958 (2) | 0.0271 (6) | |
O5 | 0.0000 (3) | −0.1547 (3) | 1.3035 (3) | 0.0333 (7) | |
O6 | 0.0941 (4) | −0.3126 (3) | 1.2033 (3) | 0.0379 (7) | |
Zn1 | 0.10926 (6) | 0.37051 (5) | 0.66421 (4) | 0.02388 (15) | |
HW22 | −0.096 (4) | 0.004 (5) | 0.324 (3) | 0.036* | |
HW11 | −0.062 (5) | 0.351 (4) | 0.437 (3) | 0.036* | |
HW12 | −0.047 (5) | 0.230 (2) | 0.476 (3) | 0.036* | |
HW21 | −0.199 (4) | 0.060 (4) | 0.273 (2) | 0.036* |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.027 (2) | 0.023 (2) | 0.028 (2) | 0.0116 (17) | 0.0094 (17) | 0.0114 (17) |
C2 | 0.041 (3) | 0.020 (2) | 0.026 (2) | 0.0142 (19) | 0.0033 (19) | 0.0082 (17) |
C3 | 0.022 (2) | 0.022 (2) | 0.0196 (19) | 0.0063 (16) | −0.0022 (16) | 0.0060 (15) |
C4 | 0.029 (2) | 0.0182 (19) | 0.026 (2) | 0.0116 (17) | 0.0010 (17) | 0.0054 (16) |
C5 | 0.026 (2) | 0.023 (2) | 0.0182 (19) | 0.0062 (17) | 0.0024 (16) | 0.0037 (16) |
C6 | 0.024 (2) | 0.0195 (19) | 0.0220 (19) | 0.0052 (16) | 0.0001 (16) | 0.0074 (16) |
C7 | 0.035 (2) | 0.021 (2) | 0.025 (2) | 0.0141 (18) | 0.0036 (18) | 0.0048 (16) |
C8 | 0.029 (2) | 0.024 (2) | 0.025 (2) | 0.0105 (18) | 0.0057 (17) | 0.0056 (17) |
C9 | 0.031 (2) | 0.019 (2) | 0.026 (2) | 0.0103 (17) | 0.0023 (17) | 0.0066 (16) |
C10 | 0.029 (2) | 0.033 (2) | 0.030 (2) | 0.004 (2) | 0.0019 (19) | 0.0000 (19) |
C11 | 0.020 (2) | 0.035 (2) | 0.038 (3) | 0.0015 (19) | −0.0010 (19) | 0.000 (2) |
C12 | 0.025 (2) | 0.024 (2) | 0.028 (2) | 0.0057 (18) | −0.0022 (18) | 0.0039 (17) |
C13 | 0.026 (2) | 0.036 (2) | 0.030 (2) | 0.0119 (19) | 0.0072 (19) | 0.0049 (19) |
C14 | 0.025 (2) | 0.030 (2) | 0.033 (2) | 0.0119 (19) | 0.0037 (18) | −0.0003 (19) |
C15 | 0.027 (2) | 0.027 (2) | 0.023 (2) | 0.0045 (18) | −0.0080 (18) | 0.0062 (17) |
N1 | 0.0223 (19) | 0.0219 (17) | 0.0276 (18) | 0.0042 (14) | 0.0014 (15) | 0.0066 (14) |
N2 | 0.0255 (19) | 0.0277 (18) | 0.0302 (18) | 0.0115 (15) | 0.0054 (15) | 0.0085 (15) |
O1 | 0.0394 (17) | 0.0201 (14) | 0.0247 (14) | 0.0135 (13) | −0.0002 (13) | 0.0059 (12) |
O2 | 0.0494 (19) | 0.0215 (15) | 0.0299 (15) | 0.0157 (14) | 0.0034 (14) | 0.0076 (12) |
O1W | 0.050 (2) | 0.0254 (16) | 0.0323 (17) | 0.0146 (15) | −0.0113 (15) | 0.0101 (13) |
O3 | 0.0352 (16) | 0.0227 (14) | 0.0213 (14) | 0.0146 (13) | 0.0040 (12) | 0.0082 (11) |
O2W | 0.049 (2) | 0.0356 (18) | 0.0308 (16) | 0.0239 (15) | 0.0037 (15) | 0.0070 (14) |
O4 | 0.0420 (18) | 0.0209 (14) | 0.0210 (14) | 0.0127 (13) | 0.0065 (12) | 0.0084 (11) |
O5 | 0.0312 (17) | 0.0387 (17) | 0.0392 (17) | 0.0166 (14) | 0.0096 (14) | 0.0229 (14) |
O6 | 0.057 (2) | 0.0206 (15) | 0.0327 (16) | 0.0112 (14) | −0.0009 (15) | 0.0096 (13) |
Zn1 | 0.0267 (3) | 0.0210 (2) | 0.0249 (3) | 0.00896 (19) | 0.00287 (19) | 0.00807 (18) |
C1—O2 | 1.230 (4) | C11—N2 | 1.368 (5) |
C1—O1 | 1.285 (5) | C11—H11 | 0.9300 |
C1—C2 | 1.511 (5) | C12—N1 | 1.321 (5) |
C2—O3 | 1.427 (4) | C12—N2 | 1.335 (5) |
C2—H2A | 0.9700 | C12—H12 | 0.9300 |
C2—H2B | 0.9700 | C13—N2 | 1.469 (5) |
C3—C8 | 1.380 (5) | C13—C14 | 1.520 (5) |
C3—C4 | 1.384 (5) | C13—H13A | 0.9700 |
C3—O3 | 1.396 (4) | C13—H13B | 0.9700 |
C4—C5 | 1.388 (5) | C14—C14i | 1.510 (8) |
C4—H4 | 0.9300 | C14—H14A | 0.9700 |
C5—C6 | 1.391 (5) | C14—H14B | 0.9700 |
C5—H5 | 0.9300 | C15—O6 | 1.244 (5) |
C6—O4 | 1.375 (4) | C15—O5 | 1.253 (5) |
C6—C7 | 1.385 (5) | Zn1—N1 | 2.014 (3) |
C7—C8 | 1.388 (5) | Zn1—O1 | 1.978 (2) |
C7—H7 | 0.9300 | Zn1—O1W | 2.029 (3) |
C8—H8 | 0.9300 | Zn1—O3 | 2.446 (3) |
C9—O4 | 1.423 (4) | Zn1—O5ii | 2.099 (3) |
C9—C15 | 1.510 (5) | Zn1—O6ii | 2.351 (3) |
C9—H9A | 0.9700 | O1W—HW11 | 0.81 (4) |
C9—H9B | 0.9700 | O1W—HW12 | 0.782 (17) |
C10—C11 | 1.354 (6) | O2W—HW22 | 0.83 (4) |
C10—N1 | 1.364 (5) | O2W—HW21 | 0.866 (17) |
C10—H10 | 0.9300 | ||
O2—C1—O1 | 124.4 (4) | N2—C13—H13B | 109.2 |
O2—C1—C2 | 117.1 (3) | C14—C13—H13B | 109.2 |
O1—C1—C2 | 118.5 (3) | H13A—C13—H13B | 107.9 |
O3—C2—C1 | 110.4 (3) | C14i—C14—C13 | 113.5 (4) |
O3—C2—H2A | 109.6 | C14i—C14—H14A | 108.9 |
C1—C2—H2A | 109.6 | C13—C14—H14A | 108.9 |
O3—C2—H2B | 109.6 | C14i—C14—H14B | 108.9 |
C1—C2—H2B | 109.6 | C13—C14—H14B | 108.9 |
H2A—C2—H2B | 108.1 | H14A—C14—H14B | 107.7 |
C8—C3—C4 | 120.4 (3) | O6—C15—O5 | 121.9 (4) |
C8—C3—O3 | 115.7 (3) | O6—C15—C9 | 118.1 (4) |
C4—C3—O3 | 123.8 (3) | O5—C15—C9 | 119.9 (3) |
C3—C4—C5 | 119.0 (3) | C12—N1—C10 | 105.8 (3) |
C3—C4—H4 | 120.5 | C12—N1—Zn1 | 125.7 (3) |
C5—C4—H4 | 120.5 | C10—N1—Zn1 | 128.3 (3) |
C4—C5—C6 | 121.0 (3) | C12—N2—C11 | 107.3 (3) |
C4—C5—H5 | 119.5 | C12—N2—C13 | 126.0 (3) |
C6—C5—H5 | 119.5 | C11—N2—C13 | 126.7 (3) |
O4—C6—C7 | 124.9 (3) | C1—O1—Zn1 | 125.2 (2) |
O4—C6—C5 | 115.8 (3) | Zn1—O1W—HW11 | 138 (3) |
C7—C6—C5 | 119.3 (3) | Zn1—O1W—HW12 | 96 (2) |
C6—C7—C8 | 119.8 (3) | HW11—O1W—HW12 | 119 (3) |
C6—C7—H7 | 120.1 | C3—O3—C2 | 118.0 (3) |
C8—C7—H7 | 120.1 | C3—O3—Zn1 | 119.5 (2) |
C3—C8—C7 | 120.5 (3) | C2—O3—Zn1 | 106.5 (2) |
C3—C8—H8 | 119.8 | HW22—O2W—HW21 | 106 (3) |
C7—C8—H8 | 119.8 | C6—O4—C9 | 117.2 (3) |
O4—C9—C15 | 109.6 (3) | C15—O5—Zn1ii | 95.1 (2) |
O4—C9—H9A | 109.7 | C15—O6—Zn1ii | 83.9 (2) |
C15—C9—H9A | 109.7 | O1—Zn1—N1 | 106.17 (12) |
O4—C9—H9B | 109.7 | O1—Zn1—O1W | 98.11 (11) |
C15—C9—H9B | 109.7 | N1—Zn1—O1W | 101.77 (13) |
H9A—C9—H9B | 108.2 | O1—Zn1—O5ii | 152.24 (11) |
C11—C10—N1 | 109.5 (4) | N1—Zn1—O5ii | 97.67 (12) |
C11—C10—H10 | 125.2 | O1W—Zn1—O5ii | 90.59 (12) |
N1—C10—H10 | 125.2 | O1—Zn1—O6ii | 94.26 (10) |
C10—C11—N2 | 106.2 (4) | N1—Zn1—O6ii | 150.08 (11) |
C10—C11—H11 | 126.9 | O1W—Zn1—O6ii | 96.58 (12) |
N2—C11—H11 | 126.9 | O5ii—Zn1—O6ii | 58.43 (10) |
N1—C12—N2 | 111.2 (3) | O1—Zn1—O3 | 73.53 (9) |
N1—C12—H12 | 124.4 | N1—Zn1—O3 | 87.89 (11) |
N2—C12—H12 | 124.4 | O1W—Zn1—O3 | 168.82 (10) |
N2—C13—C14 | 112.2 (3) | O5ii—Zn1—O3 | 93.70 (10) |
N2—C13—H13A | 109.2 | O6ii—Zn1—O3 | 77.02 (9) |
C14—C13—H13A | 109.2 |
Symmetry codes: (i) −x+1, −y, −z+1; (ii) −x, −y, −z+2. |
D—H···A | D—H | H···A | D···A | D—H···A |
O2W—HW22···O5iii | 0.83 (4) | 2.03 (2) | 2.805 (4) | 158 (4) |
O1W—HW11···O1iv | 0.81 (4) | 1.93 (2) | 2.727 (4) | 168 (4) |
O1W—HW12···O2W | 0.78 (2) | 1.98 (2) | 2.632 (4) | 140 (3) |
O2W—HW21···O2iv | 0.87 (2) | 1.99 (2) | 2.790 (4) | 153 (3) |
Symmetry codes: (iii) x, y, z−1; (iv) −x, −y+1, −z+1. |
Experimental details
Crystal data | |
Chemical formula | [Zn2(C10H8O6)2(C10H14N4)(H2O)2]·2H2O |
Mr | 420.69 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 293 |
a, b, c (Å) | 8.9061 (12), 9.8617 (14), 10.6066 (15) |
α, β, γ (°) | 100.014 (2), 94.614 (2), 111.107 (2) |
V (Å3) | 845.4 (2) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 1.50 |
Crystal size (mm) | 0.19 × 0.19 × 0.18 |
Data collection | |
Diffractometer | Bruker APEX CCD |
Absorption correction | Multi-scan (SADABS; Bruker, 1998) |
Tmin, Tmax | 0.745, 0.764 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 4802, 3252, 2667 |
Rint | 0.027 |
(sin θ/λ)max (Å−1) | 0.617 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.050, 0.107, 1.07 |
No. of reflections | 3252 |
No. of parameters | 247 |
No. of restraints | 7 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.61, −0.34 |
Computer programs: SMART (Bruker, 1998), SAINT (Bruker, 1998), SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), SHELXTL (Bruker, 1998).
Zn1—N1 | 2.014 (3) | Zn1—O3 | 2.446 (3) |
Zn1—O1 | 1.978 (2) | Zn1—O5i | 2.099 (3) |
Zn1—O1W | 2.029 (3) | Zn1—O6i | 2.351 (3) |
Symmetry code: (i) −x, −y, −z+2. |
D—H···A | D—H | H···A | D···A | D—H···A |
O2W—HW22···O5ii | 0.83 (4) | 2.03 (2) | 2.805 (4) | 158 (4) |
O1W—HW11···O1iii | 0.81 (4) | 1.93 (2) | 2.727 (4) | 168 (4) |
O1W—HW12···O2W | 0.782 (17) | 1.98 (2) | 2.632 (4) | 140 (3) |
O2W—HW21···O2iii | 0.866 (17) | 1.99 (2) | 2.790 (4) | 153 (3) |
Symmetry codes: (ii) x, y, z−1; (iii) −x, −y+1, −z+1. |
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As part of the ongoing effort to create new coordinatiom polymer chain structures (Chen & Liu, 2002; Che et al., 2006), we selected 1,4-benzenedioxydiacetic acid (1,4-H2bdd) and 1-(4-(1H-imidazole-l-yl)butyl)-1H-imidazole (ibi) as bridging ligands, in combination with zinc cations, generating a new chain coordination polymer, [Zn2(1,4-bdd)2(ibi)(H2O)2].2H2O, (I), which is reported here.
The selected bond lengths and angles are listed in Table 1. In compound (I), the ZnII atom is six-coordinated by one N atom from one ibi ligand, and five O atoms from two different 1,4-bdd ligands and one water molecule in a very distorted octahedral environment (Fig. 1). As shown in Fig. 2, two 1,4-bdd ligands bridge two ZnII atoms to form a dimer. The dimers are further linked by ibi ligands, forming a chain structure (Fig. 2). Furthermore, the O—H···O hydrogen bonds (Table 2) link the chains together, forming a three-dimensional supramolecular network.