Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807037646/bi2215sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807037646/bi2215Isup2.hkl |
CCDC reference: 660066
The ligand 2-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine (L) was synthesized according to a general literature procedure (Singh et al., 2003; Song et al., 2005). Reaction of L (0.1 mmol) with ZnCl2 (0.1 mmol) in the mixed solution of MeOH (15 ml) and CH3CN (5 ml) for a few minutes afforded the yellow solid, which was filtered. The resulting solution was kept at room temperature and yellow single crystals suitable for X-ray analysis were obtained by slow evaporation of the solvent after several days. Yield: 30%. Elemental analysis calculated: C, 45.13; H, 3.25; N, 15.04%; found: C, 45.26; H, 3.14; N, 15.11%.
H atoms were included in calculated positions and treated in subsequent refinement as riding atoms, with C—H = 0.93 (aromatic) or 0.97 Å (methylene), and with Uiso(H) = 1.2 or 1.5 Ueq(C).
Nowadays, much attention is focused on the synthetic approach and the structural control of metal-organic coordination architectures with such ligands based on pyrazolyl-pyridine chelating units (Steel, 2005; Ward et al., 2001). In this field, Ward et al. have reported many novel functional complexes through the use of 3-(2-pyridyl)pyrazole and/or 3-(2-pyridyl)pyrazole-based ligands (Bell et al., 2003; Paul et al., 2004; Singh et al., 2003; Ward et al., 2001; Zou et al., 2004). In this paper, we present a zinc chloride complex of the ligand 2-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine (denoted L).
In the title complex, ZnII is five-coordinated by three N donors from one L ligand and two Cl- anions (Figure 1). The coordination geometry around each ZnII center can be described as distorted trigonal bipyramidal. The coordinated tridentate L ligand gives rise to one five-membered chelate ring [Zn1/N2/C6/C5/N3], with the N2—Zn1—N3 angle equal to 72.73 (3)°, and one six-membered chelate ring [Zn1/N2/N1/C9/C10/N4], with the N2—Zn1—N4 angle equal to 82.34 (8)°. Distortions from ideal trigonal bipyramidal geometry are evident from the bond lengths and bond angles (Table 1).
The mononuclear ZnII complexes form π···π stacking interactions between adjacent pyridine and pyrazole rings of the L ligands, with centroid-centroid separations of 3.671 (1) Å (dashed open lines in Figure 2) and 3.681 (1) Å (dashed solid lines in Figure 2), and with a dihedral angle of 4.0° between the planes of the rings (Janiak, 2000; Khlobystov et al., 2001). These interactions generate one-dimensional chains along the a axis.
For related literature, see: Bell et al. (2003); Janiak (2000); Khlobystov et al. (2001); Paul et al. (2004); Singh et al. (2003); Song et al. (2005); Steel (2005); Ward et al. (2001); Zou et al. (2004).
Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; 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 and PLATON (Spek, 2003).
[ZnCl2(C14H12N4)] | F(000) = 752 |
Mr = 372.55 | Dx = 1.651 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 2602 reflections |
a = 7.2813 (10) Å | θ = 2.7–24.8° |
b = 15.248 (2) Å | µ = 1.99 mm−1 |
c = 13.5034 (19) Å | T = 294 K |
β = 90.967 (2)° | Block, yellow |
V = 1499.0 (4) Å3 | 0.20 × 0.18 × 0.14 mm |
Z = 4 |
Bruker SMART CCD diffractometer | 3037 independent reflections |
Radiation source: fine-focus sealed tube | 2174 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.040 |
φ and ω scans | θmax = 26.4°, θmin = 2.0° |
Absorption correction: multi-scan (SADABS; Bruker, 1998) | h = −9→5 |
Tmin = 0.692, Tmax = 0.768 | k = −19→16 |
8317 measured reflections | l = −16→16 |
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)] = 0.033 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.073 | H-atom parameters constrained |
S = 1.01 | w = 1/[σ2(Fo2) + (0.0275P)2 + 0.3375P] where P = (Fo2 + 2Fc2)/3 |
3037 reflections | (Δ/σ)max < 0.001 |
190 parameters | Δρmax = 0.27 e Å−3 |
0 restraints | Δρmin = −0.35 e Å−3 |
[ZnCl2(C14H12N4)] | V = 1499.0 (4) Å3 |
Mr = 372.55 | Z = 4 |
Monoclinic, P21/n | Mo Kα radiation |
a = 7.2813 (10) Å | µ = 1.99 mm−1 |
b = 15.248 (2) Å | T = 294 K |
c = 13.5034 (19) Å | 0.20 × 0.18 × 0.14 mm |
β = 90.967 (2)° |
Bruker SMART CCD diffractometer | 3037 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 1998) | 2174 reflections with I > 2σ(I) |
Tmin = 0.692, Tmax = 0.768 | Rint = 0.040 |
8317 measured reflections |
R[F2 > 2σ(F2)] = 0.033 | 0 restraints |
wR(F2) = 0.073 | H-atom parameters constrained |
S = 1.01 | Δρmax = 0.27 e Å−3 |
3037 reflections | Δρmin = −0.35 e Å−3 |
190 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 | ||
Zn1 | 0.16259 (4) | 1.08055 (2) | 0.29567 (3) | 0.03662 (12) | |
C1 | 0.1757 (4) | 1.1774 (2) | 0.5136 (2) | 0.0449 (8) | |
H1A | 0.1377 | 1.2270 | 0.4786 | 0.054* | |
C2 | 0.2070 (4) | 1.1849 (2) | 0.6138 (2) | 0.0480 (8) | |
H2A | 0.1902 | 1.2381 | 0.6460 | 0.058* | |
C3 | 0.2636 (4) | 1.1118 (2) | 0.6654 (2) | 0.0452 (8) | |
H3A | 0.2894 | 1.1155 | 0.7330 | 0.054* | |
C4 | 0.2820 (4) | 1.0326 (2) | 0.6165 (2) | 0.0391 (7) | |
H4A | 0.3173 | 0.9822 | 0.6506 | 0.047* | |
C5 | 0.2467 (3) | 1.03049 (17) | 0.51566 (19) | 0.0306 (6) | |
C6 | 0.2617 (3) | 0.95185 (18) | 0.4549 (2) | 0.0318 (6) | |
C7 | 0.3003 (4) | 0.86392 (19) | 0.4753 (2) | 0.0417 (7) | |
H7A | 0.3237 | 0.8387 | 0.5369 | 0.050* | |
C8 | 0.2963 (4) | 0.82293 (19) | 0.3856 (2) | 0.0432 (7) | |
H8A | 0.3184 | 0.7637 | 0.3745 | 0.052* | |
C9 | 0.2510 (4) | 0.8755 (2) | 0.2084 (2) | 0.0445 (8) | |
H9A | 0.2684 | 0.8145 | 0.1905 | 0.053* | |
H9B | 0.3528 | 0.9087 | 0.1820 | 0.053* | |
C10 | 0.0750 (4) | 0.90799 (19) | 0.1612 (2) | 0.0404 (7) | |
C11 | −0.0245 (5) | 0.8540 (2) | 0.0987 (3) | 0.0576 (9) | |
H11A | 0.0123 | 0.7962 | 0.0891 | 0.069* | |
C12 | −0.1790 (5) | 0.8857 (3) | 0.0502 (3) | 0.0659 (10) | |
H12A | −0.2462 | 0.8502 | 0.0068 | 0.079* | |
C13 | −0.2310 (5) | 0.9702 (3) | 0.0671 (2) | 0.0580 (9) | |
H13A | −0.3342 | 0.9935 | 0.0353 | 0.070* | |
C14 | −0.1280 (4) | 1.0205 (2) | 0.1322 (2) | 0.0477 (8) | |
H14A | −0.1660 | 1.0776 | 0.1442 | 0.057* | |
N1 | 0.2550 (3) | 0.88307 (15) | 0.31618 (18) | 0.0361 (5) | |
N2 | 0.2340 (3) | 0.96230 (14) | 0.35770 (16) | 0.0337 (5) | |
N3 | 0.1972 (3) | 1.10258 (14) | 0.46378 (17) | 0.0353 (6) | |
N4 | 0.0236 (3) | 0.99150 (15) | 0.17893 (16) | 0.0379 (6) | |
Cl1 | 0.41903 (11) | 1.12397 (6) | 0.21749 (7) | 0.0648 (3) | |
Cl2 | −0.05580 (10) | 1.18623 (5) | 0.29099 (6) | 0.0433 (2) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Zn1 | 0.0335 (2) | 0.03112 (19) | 0.0450 (2) | 0.00138 (15) | −0.00478 (14) | 0.00854 (16) |
C1 | 0.0465 (19) | 0.0372 (17) | 0.051 (2) | 0.0021 (14) | −0.0064 (15) | −0.0050 (15) |
C2 | 0.0441 (19) | 0.0449 (19) | 0.055 (2) | −0.0030 (15) | −0.0004 (15) | −0.0192 (16) |
C3 | 0.0386 (18) | 0.062 (2) | 0.0355 (18) | −0.0093 (15) | −0.0015 (14) | −0.0085 (16) |
C4 | 0.0308 (16) | 0.0507 (19) | 0.0356 (17) | −0.0045 (14) | −0.0016 (12) | 0.0059 (14) |
C5 | 0.0225 (14) | 0.0349 (15) | 0.0344 (15) | −0.0004 (12) | −0.0024 (11) | 0.0026 (12) |
C6 | 0.0222 (14) | 0.0364 (15) | 0.0367 (16) | −0.0003 (12) | −0.0006 (12) | 0.0046 (12) |
C7 | 0.0471 (19) | 0.0393 (17) | 0.0389 (18) | 0.0061 (14) | 0.0026 (14) | 0.0126 (14) |
C8 | 0.0466 (19) | 0.0278 (15) | 0.055 (2) | 0.0045 (13) | 0.0026 (15) | 0.0056 (14) |
C9 | 0.0493 (19) | 0.0441 (18) | 0.0400 (18) | 0.0106 (15) | −0.0011 (14) | −0.0105 (14) |
C10 | 0.0410 (18) | 0.0443 (19) | 0.0360 (16) | −0.0022 (14) | 0.0014 (13) | −0.0047 (14) |
C11 | 0.062 (2) | 0.053 (2) | 0.057 (2) | −0.0007 (17) | −0.0059 (18) | −0.0208 (17) |
C12 | 0.064 (3) | 0.077 (3) | 0.056 (2) | −0.004 (2) | −0.0168 (19) | −0.023 (2) |
C13 | 0.049 (2) | 0.076 (3) | 0.049 (2) | 0.0038 (19) | −0.0168 (16) | −0.0018 (19) |
C14 | 0.0442 (19) | 0.0478 (19) | 0.051 (2) | 0.0022 (15) | −0.0100 (15) | 0.0033 (16) |
N1 | 0.0386 (14) | 0.0296 (12) | 0.0400 (14) | 0.0050 (11) | −0.0006 (11) | −0.0008 (11) |
N2 | 0.0390 (14) | 0.0282 (13) | 0.0339 (13) | 0.0030 (10) | −0.0045 (10) | 0.0008 (10) |
N3 | 0.0363 (14) | 0.0324 (13) | 0.0371 (14) | 0.0032 (10) | −0.0065 (10) | −0.0021 (10) |
N4 | 0.0403 (15) | 0.0385 (14) | 0.0346 (13) | 0.0011 (11) | −0.0060 (11) | 0.0008 (11) |
Cl1 | 0.0379 (5) | 0.0673 (6) | 0.0895 (7) | −0.0021 (4) | 0.0071 (4) | 0.0308 (5) |
Cl2 | 0.0409 (4) | 0.0365 (4) | 0.0521 (5) | 0.0065 (3) | −0.0077 (3) | 0.0077 (3) |
Zn1—Cl1 | 2.2596 (9) | C7—H7A | 0.930 |
Zn1—Cl2 | 2.2640 (8) | C8—N1 | 1.342 (4) |
Zn1—N2 | 2.051 (2) | C8—H8A | 0.930 |
Zn1—N3 | 2.304 (2) | C9—N1 | 1.459 (4) |
Zn1—N4 | 2.302 (2) | C9—C10 | 1.505 (4) |
C1—N3 | 1.335 (3) | C9—H9A | 0.970 |
C1—C2 | 1.374 (4) | C9—H9B | 0.970 |
C1—H1A | 0.930 | C10—N4 | 1.350 (4) |
C2—C3 | 1.374 (4) | C10—C11 | 1.377 (4) |
C2—H2A | 0.930 | C11—C12 | 1.379 (5) |
C3—C4 | 1.384 (4) | C11—H11A | 0.930 |
C3—H3A | 0.930 | C12—C13 | 1.363 (5) |
C4—C5 | 1.382 (4) | C12—H12A | 0.930 |
C4—H4A | 0.930 | C13—C14 | 1.378 (4) |
C5—N3 | 1.349 (3) | C13—H13A | 0.930 |
C5—C6 | 1.458 (4) | C14—N4 | 1.337 (3) |
C6—N2 | 1.334 (3) | C14—H14A | 0.930 |
C6—C7 | 1.396 (4) | N1—N2 | 1.342 (3) |
C7—C8 | 1.363 (4) | ||
Cl1—Zn1—Cl2 | 111.34 (3) | N1—C9—C10 | 113.5 (2) |
Cl1—Zn1—N2 | 104.04 (7) | N1—C9—H9A | 108.9 |
Cl1—Zn1—N3 | 109.88 (6) | C10—C9—H9A | 108.9 |
Cl1—Zn1—N4 | 102.14 (7) | N1—C9—H9B | 108.9 |
Cl2—Zn1—N2 | 144.09 (7) | C10—C9—H9B | 108.9 |
Cl2—Zn1—N3 | 89.36 (6) | H9A—C9—H9B | 107.7 |
Cl2—Zn1—N4 | 95.75 (6) | N4—C10—C11 | 121.9 (3) |
N2—Zn1—N3 | 72.73 (8) | N4—C10—C9 | 118.2 (3) |
N2—Zn1—N4 | 82.34 (8) | C11—C10—C9 | 119.9 (3) |
N3—Zn1—N4 | 143.13 (8) | C10—C11—C12 | 119.9 (3) |
N3—C1—C2 | 123.2 (3) | C10—C11—H11A | 120.1 |
N3—C1—H1A | 118.4 | C12—C11—H11A | 120.1 |
C2—C1—H1A | 118.4 | C13—C12—C11 | 118.6 (3) |
C1—C2—C3 | 118.5 (3) | C13—C12—H12A | 120.7 |
C1—C2—H2A | 120.8 | C11—C12—H12A | 120.7 |
C3—C2—H2A | 120.8 | C12—C13—C14 | 118.9 (3) |
C2—C3—C4 | 119.7 (3) | C12—C13—H13A | 120.6 |
C2—C3—H3A | 120.1 | C14—C13—H13A | 120.6 |
C4—C3—H3A | 120.1 | N4—C14—C13 | 123.6 (3) |
C5—C4—C3 | 118.3 (3) | N4—C14—H14A | 118.2 |
C5—C4—H4A | 120.9 | C13—C14—H14A | 118.2 |
C3—C4—H4A | 120.9 | N2—N1—C8 | 110.4 (2) |
N3—C5—C4 | 122.4 (3) | N2—N1—C9 | 119.1 (2) |
N3—C5—C6 | 113.6 (2) | C8—N1—C9 | 130.0 (3) |
C4—C5—C6 | 124.0 (3) | C6—N2—N1 | 106.7 (2) |
N2—C6—C7 | 109.6 (3) | C6—N2—Zn1 | 122.67 (18) |
N2—C6—C5 | 116.4 (2) | N1—N2—Zn1 | 130.60 (17) |
C7—C6—C5 | 134.1 (3) | C1—N3—C5 | 117.9 (2) |
C8—C7—C6 | 105.3 (3) | C1—N3—Zn1 | 127.5 (2) |
C8—C7—H7A | 127.3 | C5—N3—Zn1 | 114.62 (17) |
C6—C7—H7A | 127.3 | C14—N4—C10 | 117.2 (3) |
N1—C8—C7 | 108.0 (3) | C14—N4—Zn1 | 118.6 (2) |
N1—C8—H8A | 126.0 | C10—N4—Zn1 | 123.89 (19) |
C7—C8—H8A | 126.0 | ||
N3—C1—C2—C3 | 0.2 (5) | N3—Zn1—N2—C6 | 1.1 (2) |
C1—C2—C3—C4 | −2.0 (5) | Cl1—Zn1—N2—N1 | −75.0 (2) |
C2—C3—C4—C5 | 1.6 (4) | Cl2—Zn1—N2—N1 | 114.9 (2) |
C3—C4—C5—N3 | 0.7 (4) | N4—Zn1—N2—N1 | 25.6 (2) |
C3—C4—C5—C6 | 179.7 (2) | N3—Zn1—N2—N1 | 178.2 (2) |
N3—C5—C6—N2 | 3.1 (3) | C2—C1—N3—C5 | 2.1 (4) |
C4—C5—C6—N2 | −175.9 (2) | C2—C1—N3—Zn1 | −177.2 (2) |
N3—C5—C6—C7 | −177.0 (3) | C4—C5—N3—C1 | −2.5 (4) |
C4—C5—C6—C7 | 4.0 (5) | C6—C5—N3—C1 | 178.5 (2) |
N2—C6—C7—C8 | 0.7 (3) | C4—C5—N3—Zn1 | 176.8 (2) |
C5—C6—C7—C8 | −179.2 (3) | C6—C5—N3—Zn1 | −2.2 (3) |
C6—C7—C8—N1 | −0.9 (3) | N2—Zn1—N3—C1 | −180.0 (3) |
N1—C9—C10—N4 | 57.2 (4) | Cl1—Zn1—N3—C1 | 80.9 (2) |
N1—C9—C10—C11 | −125.4 (3) | Cl2—Zn1—N3—C1 | −31.6 (2) |
N4—C10—C11—C12 | 1.7 (5) | N4—Zn1—N3—C1 | −130.3 (2) |
C9—C10—C11—C12 | −175.6 (3) | N2—Zn1—N3—C5 | 0.73 (18) |
C10—C11—C12—C13 | −1.1 (6) | Cl1—Zn1—N3—C5 | −98.34 (18) |
C11—C12—C13—C14 | −0.3 (6) | Cl2—Zn1—N3—C5 | 149.14 (18) |
C12—C13—C14—N4 | 1.2 (5) | N4—Zn1—N3—C5 | 50.4 (2) |
C7—C8—N1—N2 | 0.7 (3) | C13—C14—N4—C10 | −0.7 (5) |
C7—C8—N1—C9 | 173.4 (3) | C13—C14—N4—Zn1 | −174.5 (3) |
C10—C9—N1—N2 | −58.7 (4) | C11—C10—N4—C14 | −0.8 (4) |
C10—C9—N1—C8 | 129.1 (3) | C9—C10—N4—C14 | 176.6 (3) |
C7—C6—N2—N1 | −0.3 (3) | C11—C10—N4—Zn1 | 172.6 (2) |
C5—C6—N2—N1 | 179.6 (2) | C9—C10—N4—Zn1 | −10.0 (4) |
C7—C6—N2—Zn1 | 177.39 (18) | N2—Zn1—N4—C14 | 149.3 (2) |
C5—C6—N2—Zn1 | −2.7 (3) | Cl1—Zn1—N4—C14 | −107.9 (2) |
C8—N1—N2—C6 | −0.3 (3) | Cl2—Zn1—N4—C14 | 5.4 (2) |
C9—N1—N2—C6 | −173.9 (2) | N3—Zn1—N4—C14 | 102.0 (2) |
C8—N1—N2—Zn1 | −177.7 (2) | N2—Zn1—N4—C10 | −24.0 (2) |
C9—N1—N2—Zn1 | 8.7 (4) | Cl1—Zn1—N4—C10 | 78.8 (2) |
Cl1—Zn1—N2—C6 | 107.9 (2) | Cl2—Zn1—N4—C10 | −167.9 (2) |
Cl2—Zn1—N2—C6 | −62.2 (3) | N3—Zn1—N4—C10 | −71.3 (3) |
N4—Zn1—N2—C6 | −151.4 (2) |
Experimental details
Crystal data | |
Chemical formula | [ZnCl2(C14H12N4)] |
Mr | 372.55 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 294 |
a, b, c (Å) | 7.2813 (10), 15.248 (2), 13.5034 (19) |
β (°) | 90.967 (2) |
V (Å3) | 1499.0 (4) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 1.99 |
Crystal size (mm) | 0.20 × 0.18 × 0.14 |
Data collection | |
Diffractometer | Bruker SMART CCD |
Absorption correction | Multi-scan (SADABS; Bruker, 1998) |
Tmin, Tmax | 0.692, 0.768 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 8317, 3037, 2174 |
Rint | 0.040 |
(sin θ/λ)max (Å−1) | 0.625 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.033, 0.073, 1.01 |
No. of reflections | 3037 |
No. of parameters | 190 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.27, −0.35 |
Computer programs: SMART (Bruker, 1998), SAINT (Bruker, 1998), SAINT, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), SHELXTL (Bruker, 1998), SHELXTL and PLATON (Spek, 2003).
Zn1—Cl1 | 2.2596 (9) | Zn1—N3 | 2.304 (2) |
Zn1—Cl2 | 2.2640 (8) | Zn1—N4 | 2.302 (2) |
Zn1—N2 | 2.051 (2) | ||
Cl1—Zn1—Cl2 | 111.34 (3) | Cl2—Zn1—N3 | 89.36 (6) |
Cl1—Zn1—N2 | 104.04 (7) | Cl2—Zn1—N4 | 95.75 (6) |
Cl1—Zn1—N3 | 109.88 (6) | N2—Zn1—N3 | 72.73 (8) |
Cl1—Zn1—N4 | 102.14 (7) | N2—Zn1—N4 | 82.34 (8) |
Cl2—Zn1—N2 | 144.09 (7) | N3—Zn1—N4 | 143.13 (8) |
Nowadays, much attention is focused on the synthetic approach and the structural control of metal-organic coordination architectures with such ligands based on pyrazolyl-pyridine chelating units (Steel, 2005; Ward et al., 2001). In this field, Ward et al. have reported many novel functional complexes through the use of 3-(2-pyridyl)pyrazole and/or 3-(2-pyridyl)pyrazole-based ligands (Bell et al., 2003; Paul et al., 2004; Singh et al., 2003; Ward et al., 2001; Zou et al., 2004). In this paper, we present a zinc chloride complex of the ligand 2-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine (denoted L).
In the title complex, ZnII is five-coordinated by three N donors from one L ligand and two Cl- anions (Figure 1). The coordination geometry around each ZnII center can be described as distorted trigonal bipyramidal. The coordinated tridentate L ligand gives rise to one five-membered chelate ring [Zn1/N2/C6/C5/N3], with the N2—Zn1—N3 angle equal to 72.73 (3)°, and one six-membered chelate ring [Zn1/N2/N1/C9/C10/N4], with the N2—Zn1—N4 angle equal to 82.34 (8)°. Distortions from ideal trigonal bipyramidal geometry are evident from the bond lengths and bond angles (Table 1).
The mononuclear ZnII complexes form π···π stacking interactions between adjacent pyridine and pyrazole rings of the L ligands, with centroid-centroid separations of 3.671 (1) Å (dashed open lines in Figure 2) and 3.681 (1) Å (dashed solid lines in Figure 2), and with a dihedral angle of 4.0° between the planes of the rings (Janiak, 2000; Khlobystov et al., 2001). These interactions generate one-dimensional chains along the a axis.