metal-organic compounds
Poly[dimethylammonium [(μ2-benzene-1,2-dicarboxylato-κ2O1:O3)[μ2-3-(pyridin-4-yl)-1H-pyrazol-1-ido-κ2N1:N3]cuprate(II)]]
aDepartment of Chemistry, Hengshui University, Heng Shui 053000, People's Republic of China
*Correspondence e-mail: 281828541@qq.com
In the title complex, {(C2H8N)[Cu(C8H4O4)(C8H6N3)]}n, there are two CuII cations (each located on a centre of inversion), one benzene-1,2-dicarboxylate dianion, one 3-(pyridin-4-yl)-1H-pyrazol-1-ide anion and one dimethylammonium cation in the The dimethylammonium cation was highly disordered and was treated with the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148–155]; the crystallographic data takes into account the presence of the cation. Each CuII cation exhibits a square-planar coordination geometry. A benzene-1,2-dicarboxylate dianion bridges two CuII cations, building a linear chain along [001]. The chains are connected by 3-(pyridin-4-yl)-1H-pyrazol-1-ide anions, constructing a layer parallel to (101). The layers are assembled into a three-dimensional supramolecular network through C—H⋯π interactions.
Related literature
For background to complexes derived from 4-(1H-pyrazol-3-yl)pyridine, see: Davies et al. (2005); Tan et al. (2011); For background to complexes derived from benzene-1,2-dicarboxylic acid, see: Guo (2010); Yan et al. (2012).
Experimental
Crystal data
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Data collection: CrystalClear (Rigaku, 2005); cell 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.
Supporting information
https://doi.org/10.1107/S1600536813016334/tk5232sup1.cif
contains datablocks I, global. DOI:Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536813016334/tk5232Isup2.hkl
A mixture of copper nitrate (0.2 mmol), 4-(1H-pyrazol-3-yl)pyridine (0.2 mmol), benzene-1,2-dicarboxylic acid (0.2 mmol) were dissolved in a DMAC/Ethanol/H2O solvent mixture (5 ml, v:v:v = 1:1:1), and placed in a capped vial (10 ml), which was heated to 373 K for three days and then cooled to room temperature. The crystals obtained were washed with water and dried in air. Element analysis, calculated for C18H18CuN4O4: C 51.69, H 4.31, N 13.40%; found: C 51.74, H 4.24, N 13.44%.
Carbon-bound H atoms were placed at calculated positions and were treated as riding on the parent atoms with C—H = 0.93 Å, and with Uiso(H) = 1.2 Ueq(C). The dimethylammonium cation was highly disordered and was treated with the SQUEEZE routine (Spek, 2009); the reported crystallographic data takes into account the presence of the cation.
The immense research in coordination polymers is due to their potential applications and the diversity in topological architectures. The choice of organic linker is crucial for constructing coordination polymers. Polycarboxylate linkers and N-containing ligands are popular for building novel architectures. Among various polycarboxylate linkers, benzene-1,2-dicarboxylic acid (1,2-H2bdc) exhibits rich coordination modes to metal centers owing to its rigidity and polycarboxylate groups (Guo, 2010; Yan et al., 2012). On the other hand, among the N-containing ligands, 4-(1H-pyrazol-3-yl)pyridine (L) processes molecular recognition sites for C—H···π and π-π interactions to form interesting supramolecular structures (Davies et al., 2005; Tan et al., 2011). Herein, we report the synthesis and structure of a novel Cu(II) coordination polymer with 1,2-H2bdc and L.
As illustrated in Fig. 1, there are two types of CuII cations in the η1,η1) bis-monodentate coordination mode connecting two CuII ions and leads to a one-dimensional linear chain. The chains are connected by L to construct a two-dimensional layer (Fig. 2). The layers are further self-assembled into a three-dimensional supramolecular network through C—H···π interactions (Fig. 3 & Table 1).
Cu(1) exhibits a square planar coordination sphere, defined by two N atoms from two pyrazole rings and two O atoms from two different carboxylate ligands. Cu(2) also shows a square planar coordination geometry with two N atoms and two O atoms. However, two N atoms come from the pyridine rings from L. Benzene-1,2-dicarboxylic acids adopt only a single µ2-(For background to 4-(1H-pyrazol-3-yl)pyridine complexes, see: Davies et al. (2005); Tan et al. (2011); For background to benzene-1,2-dicarboxylic acid complexes, see: Guo (2010); Yan et al. (2012).
Data collection: CrystalClear (Rigaku, 2005); cell
CrystalClear (Rigaku, 2005); data reduction: CrystalClear (Rigaku, 2005); 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 (Sheldrick, 2008).(C2H8N)[Cu(C8H4O4)(C8H6N3)] | Z = 2 |
Mr = 417.91 | F(000) = 430 |
Triclinic, P1 | Dx = 1.507 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 8.0978 (16) Å | Cell parameters from 8598 reflections |
b = 9.7244 (19) Å | θ = 3.0–27.6° |
c = 11.694 (2) Å | µ = 1.22 mm−1 |
α = 89.26 (3)° | T = 293 K |
β = 89.12 (3)° | Block, blue |
γ = 89.64 (3)° | 0.24 × 0.22 × 0.21 mm |
V = 920.7 (3) Å3 |
Rigaku SCXmini diffractometer | 3236 independent reflections |
Radiation source: fine-focus sealed tube | 2486 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.044 |
ω scans | θmax = 25.0°, θmin = 3.0° |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | h = −9→9 |
Tmin = 0.759, Tmax = 0.784 | k = −11→11 |
8051 measured reflections | l = −13→13 |
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)] = 0.046 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.124 | H-atom parameters constrained |
S = 1.06 | w = 1/[σ2(Fo2) + (0.0557P)2 + 0.9233P] where P = (Fo2 + 2Fc2)/3 |
3236 reflections | (Δ/σ)max < 0.001 |
220 parameters | Δρmax = 0.50 e Å−3 |
0 restraints | Δρmin = −0.30 e Å−3 |
(C2H8N)[Cu(C8H4O4)(C8H6N3)] | γ = 89.64 (3)° |
Mr = 417.91 | V = 920.7 (3) Å3 |
Triclinic, P1 | Z = 2 |
a = 8.0978 (16) Å | Mo Kα radiation |
b = 9.7244 (19) Å | µ = 1.22 mm−1 |
c = 11.694 (2) Å | T = 293 K |
α = 89.26 (3)° | 0.24 × 0.22 × 0.21 mm |
β = 89.12 (3)° |
Rigaku SCXmini diffractometer | 3236 independent reflections |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | 2486 reflections with I > 2σ(I) |
Tmin = 0.759, Tmax = 0.784 | Rint = 0.044 |
8051 measured reflections |
R[F2 > 2σ(F2)] = 0.046 | 0 restraints |
wR(F2) = 0.124 | H-atom parameters constrained |
S = 1.06 | Δρmax = 0.50 e Å−3 |
3236 reflections | Δρmin = −0.30 e Å−3 |
220 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 | ||
Cu1 | 1.0000 | 0.5000 | 0.5000 | 0.0276 (2) | |
Cu2 | 1.0000 | 0.5000 | 0.0000 | 0.0269 (2) | |
O1 | 0.9981 (3) | 0.6272 (3) | 0.3683 (2) | 0.0309 (6) | |
O2 | 0.8655 (4) | 0.7485 (3) | 0.4981 (3) | 0.0519 (9) | |
O3 | 0.8239 (3) | 0.5948 (3) | 0.1664 (2) | 0.0329 (6) | |
O4 | 1.0087 (3) | 0.6914 (3) | 0.0509 (2) | 0.0318 (6) | |
N1 | 0.1845 (4) | 0.4575 (3) | 0.1055 (3) | 0.0304 (8) | |
N2 | 0.7841 (4) | 0.4230 (3) | 0.4546 (3) | 0.0310 (8) | |
N3 | 0.7012 (4) | 0.4575 (3) | 0.3568 (3) | 0.0284 (7) | |
C1 | 0.9180 (5) | 0.7341 (4) | 0.3997 (3) | 0.0320 (9) | |
C2 | 0.8933 (5) | 0.8487 (4) | 0.3141 (3) | 0.0299 (9) | |
C3 | 0.8962 (5) | 0.8307 (4) | 0.1954 (3) | 0.0287 (9) | |
C4 | 0.9107 (5) | 0.6958 (4) | 0.1364 (3) | 0.0270 (8) | |
C5 | 0.8805 (5) | 0.9467 (4) | 0.1244 (4) | 0.0387 (10) | |
H5 | 0.8842 | 0.9362 | 0.0455 | 0.046* | |
C6 | 0.8600 (6) | 1.0754 (5) | 0.1688 (4) | 0.0504 (12) | |
H6 | 0.8488 | 1.1511 | 0.1200 | 0.061* | |
C7 | 0.8559 (7) | 1.0929 (5) | 0.2847 (4) | 0.0539 (13) | |
H7 | 0.8424 | 1.1803 | 0.3150 | 0.065* | |
C8 | 0.8719 (6) | 0.9800 (5) | 0.3561 (4) | 0.0445 (11) | |
H8 | 0.8683 | 0.9924 | 0.4349 | 0.053* | |
C9 | 0.6856 (5) | 0.3392 (4) | 0.5137 (3) | 0.0349 (10) | |
H9 | 0.7116 | 0.2992 | 0.5839 | 0.042* | |
C10 | 0.5388 (5) | 0.3190 (4) | 0.4571 (3) | 0.0357 (10) | |
H10 | 0.4502 | 0.2649 | 0.4812 | 0.043* | |
C11 | 0.5517 (5) | 0.3955 (4) | 0.3579 (3) | 0.0287 (9) | |
C12 | 0.4293 (4) | 0.4167 (4) | 0.2673 (3) | 0.0283 (9) | |
C13 | 0.2849 (5) | 0.3433 (5) | 0.2711 (4) | 0.0451 (12) | |
H13 | 0.2666 | 0.2781 | 0.3287 | 0.054* | |
C14 | 0.1682 (5) | 0.3670 (5) | 0.1896 (4) | 0.0447 (12) | |
H14 | 0.0715 | 0.3160 | 0.1939 | 0.054* | |
C15 | 0.3227 (6) | 0.5277 (6) | 0.1017 (4) | 0.0567 (14) | |
H15 | 0.3367 | 0.5935 | 0.0440 | 0.068* | |
C16 | 0.4478 (6) | 0.5087 (5) | 0.1790 (4) | 0.0566 (15) | |
H16 | 0.5450 | 0.5587 | 0.1710 | 0.068* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cu1 | 0.0263 (4) | 0.0308 (4) | 0.0260 (4) | −0.0010 (3) | −0.0127 (3) | 0.0035 (3) |
Cu2 | 0.0247 (4) | 0.0338 (4) | 0.0226 (3) | −0.0005 (3) | −0.0098 (3) | −0.0011 (3) |
O1 | 0.0306 (14) | 0.0326 (16) | 0.0298 (14) | 0.0011 (12) | −0.0102 (12) | 0.0046 (12) |
O2 | 0.068 (2) | 0.055 (2) | 0.0314 (17) | 0.0063 (17) | 0.0068 (16) | 0.0069 (15) |
O3 | 0.0355 (15) | 0.0350 (16) | 0.0283 (14) | −0.0081 (12) | −0.0066 (12) | 0.0024 (12) |
O4 | 0.0318 (15) | 0.0367 (16) | 0.0271 (14) | −0.0033 (12) | −0.0019 (12) | −0.0018 (12) |
N1 | 0.0264 (17) | 0.038 (2) | 0.0272 (17) | −0.0013 (14) | −0.0066 (14) | 0.0004 (15) |
N2 | 0.0301 (18) | 0.037 (2) | 0.0261 (17) | −0.0010 (15) | −0.0137 (14) | 0.0061 (15) |
N3 | 0.0259 (17) | 0.0328 (19) | 0.0269 (17) | 0.0009 (14) | −0.0125 (14) | 0.0000 (14) |
C1 | 0.033 (2) | 0.037 (2) | 0.027 (2) | −0.0043 (18) | −0.0089 (18) | 0.0011 (18) |
C2 | 0.033 (2) | 0.029 (2) | 0.028 (2) | 0.0001 (17) | −0.0050 (17) | 0.0006 (17) |
C3 | 0.027 (2) | 0.032 (2) | 0.027 (2) | 0.0014 (16) | −0.0038 (16) | 0.0019 (17) |
C4 | 0.0250 (19) | 0.032 (2) | 0.024 (2) | 0.0002 (17) | −0.0112 (17) | 0.0000 (16) |
C5 | 0.045 (3) | 0.042 (3) | 0.029 (2) | 0.001 (2) | −0.0041 (19) | 0.0073 (19) |
C6 | 0.070 (3) | 0.029 (3) | 0.052 (3) | 0.006 (2) | 0.000 (3) | 0.010 (2) |
C7 | 0.081 (4) | 0.027 (2) | 0.054 (3) | 0.007 (2) | −0.001 (3) | −0.004 (2) |
C8 | 0.059 (3) | 0.041 (3) | 0.033 (2) | 0.000 (2) | −0.005 (2) | −0.006 (2) |
C9 | 0.036 (2) | 0.041 (3) | 0.028 (2) | −0.0007 (19) | −0.0116 (18) | 0.0113 (18) |
C10 | 0.027 (2) | 0.047 (3) | 0.033 (2) | −0.0069 (18) | −0.0058 (18) | 0.0040 (19) |
C11 | 0.024 (2) | 0.032 (2) | 0.030 (2) | −0.0009 (16) | −0.0063 (17) | −0.0014 (17) |
C12 | 0.024 (2) | 0.036 (2) | 0.0245 (19) | −0.0001 (16) | −0.0068 (16) | −0.0030 (17) |
C13 | 0.039 (3) | 0.062 (3) | 0.034 (2) | −0.014 (2) | −0.011 (2) | 0.019 (2) |
C14 | 0.031 (2) | 0.062 (3) | 0.041 (3) | −0.016 (2) | −0.013 (2) | 0.015 (2) |
C15 | 0.038 (3) | 0.076 (4) | 0.056 (3) | −0.016 (2) | −0.024 (2) | 0.036 (3) |
C16 | 0.033 (2) | 0.073 (4) | 0.064 (3) | −0.025 (2) | −0.027 (2) | 0.036 (3) |
Cu1—O1 | 1.963 (3) | C3—C4 | 1.494 (5) |
Cu1—O1i | 1.963 (3) | C5—C6 | 1.370 (6) |
Cu1—N2i | 1.989 (3) | C5—H5 | 0.9300 |
Cu1—N2 | 1.989 (3) | C6—C7 | 1.368 (7) |
Cu2—O4 | 1.964 (3) | C6—H6 | 0.9300 |
Cu2—O4ii | 1.964 (3) | C7—C8 | 1.378 (6) |
Cu2—N1iii | 1.990 (3) | C7—H7 | 0.9300 |
Cu2—N1iv | 1.990 (3) | C8—H8 | 0.9300 |
O1—C1 | 1.276 (5) | C9—C10 | 1.387 (6) |
O2—C1 | 1.230 (5) | C9—H9 | 0.9300 |
O3—C4 | 1.254 (4) | C10—C11 | 1.373 (5) |
O4—C4 | 1.268 (4) | C10—H10 | 0.9300 |
N1—C15 | 1.315 (5) | C11—C12 | 1.474 (5) |
N1—C14 | 1.317 (5) | C12—C16 | 1.365 (6) |
N1—Cu2v | 1.990 (3) | C12—C13 | 1.373 (6) |
N2—C9 | 1.324 (5) | C13—C14 | 1.369 (6) |
N2—N3 | 1.372 (4) | C13—H13 | 0.9300 |
N3—C11 | 1.355 (5) | C14—H14 | 0.9300 |
C1—C2 | 1.503 (5) | C15—C16 | 1.378 (6) |
C2—C8 | 1.384 (6) | C15—H15 | 0.9300 |
C2—C3 | 1.400 (5) | C16—H16 | 0.9300 |
C3—C5 | 1.399 (5) | ||
O1—Cu1—O1i | 180.000 (1) | C3—C5—H5 | 119.3 |
O1—Cu1—N2i | 89.29 (12) | C7—C6—C5 | 120.1 (4) |
O1i—Cu1—N2i | 90.71 (12) | C7—C6—H6 | 119.9 |
O1—Cu1—N2 | 90.71 (12) | C5—C6—H6 | 119.9 |
O1i—Cu1—N2 | 89.29 (12) | C6—C7—C8 | 119.4 (4) |
N2i—Cu1—N2 | 180.00 (17) | C6—C7—H7 | 120.3 |
O4—Cu2—O4ii | 180.00 (14) | C8—C7—H7 | 120.3 |
O4—Cu2—N1iii | 88.12 (12) | C7—C8—C2 | 121.9 (4) |
O4ii—Cu2—N1iii | 91.88 (12) | C7—C8—H8 | 119.1 |
O4—Cu2—N1iv | 91.88 (12) | C2—C8—H8 | 119.1 |
O4ii—Cu2—N1iv | 88.12 (12) | N2—C9—C10 | 111.0 (3) |
N1iii—Cu2—N1iv | 180.00 (19) | N2—C9—H9 | 124.5 |
C1—O1—Cu1 | 106.8 (2) | C10—C9—H9 | 124.5 |
C4—O4—Cu2 | 104.6 (2) | C11—C10—C9 | 105.5 (3) |
C15—N1—C14 | 116.5 (3) | C11—C10—H10 | 127.3 |
C15—N1—Cu2v | 121.6 (3) | C9—C10—H10 | 127.3 |
C14—N1—Cu2v | 121.6 (3) | N3—C11—C10 | 107.7 (3) |
C9—N2—N3 | 106.2 (3) | N3—C11—C12 | 123.1 (3) |
C9—N2—Cu1 | 128.4 (3) | C10—C11—C12 | 129.1 (3) |
N3—N2—Cu1 | 125.2 (2) | C16—C12—C13 | 116.6 (4) |
C11—N3—N2 | 109.6 (3) | C16—C12—C11 | 123.9 (3) |
O2—C1—O1 | 122.5 (4) | C13—C12—C11 | 119.5 (3) |
O2—C1—C2 | 119.0 (4) | C14—C13—C12 | 119.5 (4) |
O1—C1—C2 | 118.5 (3) | C14—C13—H13 | 120.2 |
C8—C2—C3 | 118.7 (4) | C12—C13—H13 | 120.2 |
C8—C2—C1 | 117.3 (4) | N1—C14—C13 | 124.0 (4) |
C3—C2—C1 | 124.0 (3) | N1—C14—H14 | 118.0 |
C5—C3—C2 | 118.6 (4) | C13—C14—H14 | 118.0 |
C5—C3—C4 | 116.0 (3) | N1—C15—C16 | 123.3 (4) |
C2—C3—C4 | 125.4 (3) | N1—C15—H15 | 118.4 |
O3—C4—O4 | 122.1 (4) | C16—C15—H15 | 118.4 |
O3—C4—C3 | 121.5 (3) | C12—C16—C15 | 120.1 (4) |
O4—C4—C3 | 116.3 (3) | C12—C16—H16 | 120.0 |
C6—C5—C3 | 121.3 (4) | C15—C16—H16 | 120.0 |
C6—C5—H5 | 119.3 |
Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) −x+2, −y+1, −z; (iii) x+1, y, z; (iv) −x+1, −y+1, −z; (v) x−1, y, z. |
Cg1 is the centroid of the N2,N3,C9–C11 ring. |
D—H···A | D—H | H···A | D···A | D—H···A |
C7—H7···Cg1vi | 0.93 | 2.85 | 3.698 (5) | 152 |
Symmetry code: (vi) x, y+1, z. |
Experimental details
Crystal data | |
Chemical formula | (C2H8N)[Cu(C8H4O4)(C8H6N3)] |
Mr | 417.91 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 293 |
a, b, c (Å) | 8.0978 (16), 9.7244 (19), 11.694 (2) |
α, β, γ (°) | 89.26 (3), 89.12 (3), 89.64 (3) |
V (Å3) | 920.7 (3) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 1.22 |
Crystal size (mm) | 0.24 × 0.22 × 0.21 |
Data collection | |
Diffractometer | Rigaku SCXmini |
Absorption correction | Multi-scan (ABSCOR; Higashi, 1995) |
Tmin, Tmax | 0.759, 0.784 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 8051, 3236, 2486 |
Rint | 0.044 |
(sin θ/λ)max (Å−1) | 0.595 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.046, 0.124, 1.06 |
No. of reflections | 3236 |
No. of parameters | 220 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.50, −0.30 |
Computer programs: CrystalClear (Rigaku, 2005), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEPII (Johnson, 1976) and DIAMOND (Brandenburg, 1999).
Cg1 is the centroid of the N2,N3,C9–C11 ring. |
D—H···A | D—H | H···A | D···A | D—H···A |
C7—H7···Cg1i | 0.93 | 2.85 | 3.698 (5) | 152 |
Symmetry code: (i) x, y+1, z. |
Acknowledgements
The author acknowledges Hengshui University for supporting this work.
References
Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany. Google Scholar
Davies, G. M., Adams, H. & Ward, M. D. (2005). Acta Cryst. C61, m485–m487. Web of Science CSD CrossRef CAS IUCr Journals Google Scholar
Guo, J.-H. (2010). Acta Cryst. E66, m1206. Web of Science CSD CrossRef IUCr Journals Google Scholar
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan. Google Scholar
Johnson, C. K. (1976). ORTEPII. Report ORNL-5138, Oak Ridge National Laboratory, Tennessee, USA. Google Scholar
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Spek, A. L. (2009). Acta Cryst. D65, 148–155. Web of Science CrossRef CAS IUCr Journals Google Scholar
Tan, Z.-D., Tan, F.-J., Tan, B. & Yi, Z.-W. (2011). Acta Cryst. E67, m1512. Web of Science CSD CrossRef IUCr Journals Google Scholar
Yan, Y., Yu, W.-J. & Chen, J. (2012). Acta Cryst. E68, m129–m130. Web of Science CSD CrossRef CAS IUCr Journals Google Scholar
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The immense research in coordination polymers is due to their potential applications and the diversity in topological architectures. The choice of organic linker is crucial for constructing coordination polymers. Polycarboxylate linkers and N-containing ligands are popular for building novel architectures. Among various polycarboxylate linkers, benzene-1,2-dicarboxylic acid (1,2-H2bdc) exhibits rich coordination modes to metal centers owing to its rigidity and polycarboxylate groups (Guo, 2010; Yan et al., 2012). On the other hand, among the N-containing ligands, 4-(1H-pyrazol-3-yl)pyridine (L) processes molecular recognition sites for C—H···π and π-π interactions to form interesting supramolecular structures (Davies et al., 2005; Tan et al., 2011). Herein, we report the synthesis and structure of a novel Cu(II) coordination polymer with 1,2-H2bdc and L.
As illustrated in Fig. 1, there are two types of CuII cations in the asymmetric unit. Cu(1) exhibits a square planar coordination sphere, defined by two N atoms from two pyrazole rings and two O atoms from two different carboxylate ligands. Cu(2) also shows a square planar coordination geometry with two N atoms and two O atoms. However, two N atoms come from the pyridine rings from L. Benzene-1,2-dicarboxylic acids adopt only a single µ2-(η1,η1) bis-monodentate coordination mode connecting two CuII ions and leads to a one-dimensional linear chain. The chains are connected by L to construct a two-dimensional layer (Fig. 2). The layers are further self-assembled into a three-dimensional supramolecular network through C—H···π interactions (Fig. 3 & Table 1).