metal-organic compounds
{N,N-Dimethyl-N′-[1-(2-pyridyl)ethylidene]propane-1,3-diamine}bis(thiocyanato-κN)copper(II)
aCollege of Chemistry and Chemical Engineering, Pingdingshan University, Pingdingshan, Henan 467000, People's Republic of China
*Correspondence e-mail: pdsuchemistry@163.com
In the title complex, [Cu(NCS)2(C12H19N3)], the CuII atom is five-coordinated in a square-pyramidal geometry defined by one pyridine N, one imine N, and one amine N atom of the tridentate Schiff base ligand and two N-bonded thiocyanate ions (one of the latter occupying the apical site). The three bridging C atoms and the two terminal C atoms of the Schiff base are disordered over two sets of sites, with occupancies of 0.465 (2) and 0.535 (2).
Experimental
Crystal data
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Refinement
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Data collection: SMART (Bruker, 1998); cell SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.
Supporting information
10.1107/S1600536810036378/hb5636sup1.cif
contains datablocks global, I. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536810036378/hb5636Isup2.hkl
2-Acetylpyridine (121 mg, 1.0 mmol), N,Ndimethylpropane-1,3-diamine (102 mg, 1.0 mmol), ammonium thiocyanate (76 mg, 1.0 mmol), and copper acetate monohydrate (199.2 mg, 1.0 mmol) were dissolved in methanol (80 ml). The mixture was stirred for two hours at room temperature. The resulting solution was left in air for a few days, yielding blue blocks of (I).
H atoms were placed in idealized positions and constrained to ride on their parent atoms with C—H distances of 0.93–0.97 Å, and with Uiso(H) set at 1.2Ueq(C) and 1.5Ueq(Cmethyl). The three briding C atoms and the two terminal C atoms of the Schiff base ligand are disordered over two sites, with occupancies of 0.465 (2) and 0.535 (2).
Data collection: SMART (Bruker, 1998); cell
SAINT (Bruker, 1998); data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).Fig. 1. The structure of the title complex with 30% probability displacement ellipsoids. |
[Cu(NCS)2(C12H19N3)] | F(000) = 796 |
Mr = 385.00 | Dx = 1.452 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 2747 reflections |
a = 13.723 (2) Å | θ = 2.3–24.5° |
b = 7.2380 (12) Å | µ = 1.48 mm−1 |
c = 18.237 (3) Å | T = 298 K |
β = 103.559 (2)° | Block, blue |
V = 1760.9 (5) Å3 | 0.23 × 0.21 × 0.21 mm |
Z = 4 |
Bruker SMART CCD diffractometer | 3816 independent reflections |
Radiation source: fine-focus sealed tube | 2698 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.041 |
ω scans | θmax = 27.0°, θmin = 2.3° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −15→17 |
Tmin = 0.727, Tmax = 0.746 | k = −9→9 |
13886 measured reflections | l = −23→23 |
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)] = 0.042 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.111 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0492P)2 + 0.6842P] where P = (Fo2 + 2Fc2)/3 |
3816 reflections | (Δ/σ)max < 0.001 |
237 parameters | Δρmax = 0.57 e Å−3 |
16 restraints | Δρmin = −0.47 e Å−3 |
[Cu(NCS)2(C12H19N3)] | V = 1760.9 (5) Å3 |
Mr = 385.00 | Z = 4 |
Monoclinic, P21/c | Mo Kα radiation |
a = 13.723 (2) Å | µ = 1.48 mm−1 |
b = 7.2380 (12) Å | T = 298 K |
c = 18.237 (3) Å | 0.23 × 0.21 × 0.21 mm |
β = 103.559 (2)° |
Bruker SMART CCD diffractometer | 3816 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 2698 reflections with I > 2σ(I) |
Tmin = 0.727, Tmax = 0.746 | Rint = 0.041 |
13886 measured reflections |
R[F2 > 2σ(F2)] = 0.042 | 16 restraints |
wR(F2) = 0.111 | H-atom parameters constrained |
S = 1.04 | Δρmax = 0.57 e Å−3 |
3816 reflections | Δρmin = −0.47 e Å−3 |
237 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 | Occ. (<1) | |
Cu1 | 0.24814 (3) | 0.82783 (5) | 0.39009 (2) | 0.04378 (15) | |
N1 | 0.3853 (2) | 0.8651 (4) | 0.36614 (15) | 0.0459 (7) | |
N2 | 0.2846 (2) | 1.0789 (4) | 0.43585 (14) | 0.0457 (6) | |
N4 | 0.2763 (2) | 0.7053 (4) | 0.50065 (18) | 0.0594 (8) | |
N5 | 0.2289 (2) | 0.5969 (5) | 0.33292 (18) | 0.0624 (8) | |
S1 | 0.2253 (2) | 0.6298 (3) | 0.63328 (10) | 0.1725 (10) | |
S2 | 0.23557 (7) | 0.28351 (14) | 0.24673 (6) | 0.0611 (3) | |
C1 | 0.4337 (3) | 0.7542 (6) | 0.3285 (2) | 0.0647 (10) | |
H1 | 0.4028 | 0.6446 | 0.3090 | 0.078* | |
C2 | 0.5270 (3) | 0.7936 (7) | 0.3170 (2) | 0.0752 (13) | |
H2 | 0.5584 | 0.7124 | 0.2904 | 0.090* | |
C3 | 0.5724 (3) | 0.9539 (7) | 0.3454 (2) | 0.0716 (12) | |
H3 | 0.6358 | 0.9835 | 0.3388 | 0.086* | |
C4 | 0.5236 (3) | 1.0714 (6) | 0.3839 (2) | 0.0601 (10) | |
H4 | 0.5533 | 1.1821 | 0.4032 | 0.072* | |
C5 | 0.4300 (2) | 1.0238 (5) | 0.39356 (17) | 0.0443 (7) | |
C6 | 0.3702 (2) | 1.1400 (4) | 0.43399 (18) | 0.0452 (8) | |
C7 | 0.4155 (3) | 1.3171 (5) | 0.4690 (2) | 0.0701 (12) | |
H7A | 0.4090 | 1.4104 | 0.4307 | 0.105* | |
H7B | 0.4851 | 1.2979 | 0.4921 | 0.105* | |
H7C | 0.3812 | 1.3563 | 0.5065 | 0.105* | |
N3 | 0.0939 (2) | 0.8665 (4) | 0.36804 (17) | 0.0606 (8) | 0.465 (11) |
C8 | 0.2202 (3) | 1.1843 (5) | 0.4750 (2) | 0.0684 (11) | 0.465 (11) |
H8A | 0.2116 | 1.3077 | 0.4538 | 0.082* | 0.465 (11) |
H8B | 0.2549 | 1.1961 | 0.5276 | 0.082* | 0.465 (11) |
C9 | 0.1197 (6) | 1.1045 (16) | 0.4713 (5) | 0.062 (3) | 0.465 (11) |
H9A | 0.0797 | 1.1912 | 0.4924 | 0.074* | 0.465 (11) |
H9B | 0.1263 | 0.9918 | 0.5009 | 0.074* | 0.465 (11) |
C10 | 0.0677 (7) | 1.0625 (13) | 0.3896 (5) | 0.056 (3) | 0.465 (11) |
H10A | 0.0886 | 1.1517 | 0.3566 | 0.067* | 0.465 (11) |
H10B | −0.0043 | 1.0731 | 0.3830 | 0.067* | 0.465 (11) |
C11 | 0.053 (3) | 0.696 (4) | 0.396 (2) | 0.092 (10) | 0.465 (11) |
H11A | −0.0185 | 0.7058 | 0.3873 | 0.138* | 0.465 (11) |
H11B | 0.0812 | 0.6838 | 0.4496 | 0.138* | 0.465 (11) |
H11C | 0.0705 | 0.5903 | 0.3705 | 0.138* | 0.465 (11) |
C12 | 0.066 (3) | 0.888 (6) | 0.2842 (6) | 0.071 (8) | 0.465 (11) |
H12A | −0.0053 | 0.9054 | 0.2678 | 0.107* | 0.465 (11) |
H12B | 0.0849 | 0.7789 | 0.2611 | 0.107* | 0.465 (11) |
H12C | 0.0998 | 0.9931 | 0.2700 | 0.107* | 0.465 (11) |
N3' | 0.0939 (2) | 0.8665 (4) | 0.36804 (17) | 0.0606 (8) | 0.535 (11) |
C8' | 0.2202 (3) | 1.1843 (5) | 0.4750 (2) | 0.0684 (11) | 0.535 (11) |
H8'A | 0.2415 | 1.3124 | 0.4803 | 0.082* | 0.535 (11) |
H8'B | 0.2252 | 1.1336 | 0.5250 | 0.082* | 0.535 (11) |
C9' | 0.1099 (5) | 1.1713 (11) | 0.4277 (7) | 0.077 (3) | 0.535 (11) |
H9'A | 0.0703 | 1.2595 | 0.4484 | 0.093* | 0.535 (11) |
H9'B | 0.1091 | 1.2112 | 0.3768 | 0.093* | 0.535 (11) |
C10' | 0.0573 (6) | 0.9862 (12) | 0.4224 (6) | 0.069 (3) | 0.535 (11) |
H10C | 0.0711 | 0.9278 | 0.4717 | 0.082* | 0.535 (11) |
H10D | −0.0145 | 1.0035 | 0.4055 | 0.082* | 0.535 (11) |
C11' | 0.036 (2) | 0.703 (3) | 0.3837 (17) | 0.071 (5) | 0.535 (11) |
H11D | −0.0346 | 0.7331 | 0.3720 | 0.106* | 0.535 (11) |
H11E | 0.0569 | 0.6702 | 0.4360 | 0.106* | 0.535 (11) |
H11F | 0.0467 | 0.6009 | 0.3531 | 0.106* | 0.535 (11) |
C12' | 0.052 (3) | 0.896 (5) | 0.2860 (6) | 0.071 (7) | 0.535 (11) |
H12D | −0.0197 | 0.9133 | 0.2770 | 0.106* | 0.535 (11) |
H12E | 0.0653 | 0.7900 | 0.2584 | 0.106* | 0.535 (11) |
H12F | 0.0815 | 1.0035 | 0.2697 | 0.106* | 0.535 (11) |
C13 | 0.2546 (3) | 0.6730 (5) | 0.5551 (2) | 0.0572 (9) | |
C14 | 0.2316 (2) | 0.4674 (5) | 0.29685 (19) | 0.0481 (8) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cu1 | 0.0369 (2) | 0.0457 (2) | 0.0496 (2) | −0.00511 (18) | 0.01183 (16) | −0.00953 (18) |
N1 | 0.0412 (15) | 0.0515 (17) | 0.0463 (15) | −0.0058 (12) | 0.0131 (12) | −0.0059 (12) |
N2 | 0.0448 (16) | 0.0426 (16) | 0.0496 (15) | 0.0014 (13) | 0.0109 (12) | −0.0037 (12) |
N4 | 0.066 (2) | 0.057 (2) | 0.0533 (18) | −0.0049 (15) | 0.0097 (15) | 0.0003 (15) |
N5 | 0.0559 (19) | 0.0598 (19) | 0.072 (2) | −0.0085 (16) | 0.0162 (16) | −0.0233 (17) |
S1 | 0.264 (3) | 0.178 (2) | 0.1026 (12) | −0.0650 (18) | 0.0974 (15) | 0.0160 (12) |
S2 | 0.0560 (6) | 0.0568 (6) | 0.0762 (6) | −0.0069 (4) | 0.0269 (5) | −0.0187 (5) |
C1 | 0.055 (2) | 0.078 (3) | 0.064 (2) | −0.011 (2) | 0.0212 (19) | −0.025 (2) |
C2 | 0.051 (2) | 0.107 (4) | 0.075 (3) | −0.005 (2) | 0.031 (2) | −0.023 (2) |
C3 | 0.042 (2) | 0.106 (4) | 0.071 (3) | −0.012 (2) | 0.0205 (19) | 0.002 (2) |
C4 | 0.045 (2) | 0.069 (3) | 0.064 (2) | −0.0139 (19) | 0.0068 (17) | 0.003 (2) |
C5 | 0.0366 (17) | 0.0494 (19) | 0.0435 (17) | −0.0030 (15) | 0.0024 (13) | 0.0060 (15) |
C6 | 0.0428 (19) | 0.0389 (18) | 0.0486 (18) | −0.0020 (14) | 0.0004 (14) | 0.0025 (14) |
C7 | 0.062 (2) | 0.046 (2) | 0.093 (3) | −0.0065 (19) | −0.001 (2) | −0.012 (2) |
N3 | 0.0378 (16) | 0.073 (2) | 0.069 (2) | −0.0027 (15) | 0.0079 (14) | −0.0122 (17) |
C8 | 0.069 (3) | 0.059 (2) | 0.079 (3) | 0.009 (2) | 0.023 (2) | −0.021 (2) |
C9 | 0.062 (6) | 0.061 (7) | 0.078 (7) | 0.003 (5) | 0.047 (5) | −0.009 (5) |
C10 | 0.034 (5) | 0.066 (7) | 0.072 (6) | 0.017 (4) | 0.019 (4) | 0.007 (5) |
C11 | 0.019 (8) | 0.155 (18) | 0.096 (19) | −0.026 (9) | 0.003 (9) | 0.037 (10) |
C12 | 0.032 (9) | 0.105 (17) | 0.065 (12) | −0.007 (8) | −0.012 (8) | 0.027 (10) |
N3' | 0.0378 (16) | 0.073 (2) | 0.069 (2) | −0.0027 (15) | 0.0079 (14) | −0.0122 (17) |
C8' | 0.069 (3) | 0.059 (2) | 0.079 (3) | 0.009 (2) | 0.023 (2) | −0.021 (2) |
C9' | 0.067 (6) | 0.058 (6) | 0.126 (10) | 0.003 (4) | 0.061 (7) | −0.008 (6) |
C10' | 0.058 (5) | 0.074 (6) | 0.083 (7) | 0.005 (4) | 0.034 (5) | 0.001 (5) |
C11' | 0.038 (12) | 0.120 (12) | 0.053 (6) | −0.007 (6) | 0.007 (8) | 0.019 (6) |
C12' | 0.050 (13) | 0.061 (10) | 0.100 (15) | −0.006 (7) | 0.013 (8) | 0.010 (9) |
C13 | 0.066 (2) | 0.043 (2) | 0.061 (2) | −0.0099 (18) | 0.0108 (19) | 0.0024 (18) |
C14 | 0.0348 (17) | 0.054 (2) | 0.0550 (19) | −0.0070 (15) | 0.0103 (14) | −0.0051 (17) |
Cu1—N5 | 1.955 (3) | N3—C11 | 1.494 (9) |
Cu1—N2 | 2.013 (3) | N3—C10 | 1.537 (7) |
Cu1—N1 | 2.047 (3) | C8—C9 | 1.483 (7) |
Cu1—N3 | 2.078 (3) | C8—H8A | 0.9700 |
Cu1—N4 | 2.153 (3) | C8—H8B | 0.9700 |
N1—C1 | 1.331 (4) | C9—C10 | 1.525 (9) |
N1—C5 | 1.343 (4) | C9—H9A | 0.9700 |
N2—C6 | 1.264 (4) | C9—H9B | 0.9700 |
N2—C8 | 1.472 (4) | C10—H10A | 0.9700 |
N4—C13 | 1.126 (4) | C10—H10B | 0.9700 |
N5—C14 | 1.151 (4) | C11—H11A | 0.9600 |
S1—C13 | 1.600 (4) | C11—H11B | 0.9600 |
S2—C14 | 1.622 (4) | C11—H11C | 0.9600 |
C1—C2 | 1.375 (5) | C12—H12A | 0.9600 |
C1—H1 | 0.9300 | C12—H12B | 0.9600 |
C2—C3 | 1.361 (6) | C12—H12C | 0.9600 |
C2—H2 | 0.9300 | C9'—C10' | 1.514 (9) |
C3—C4 | 1.373 (5) | C9'—H9'A | 0.9700 |
C3—H3 | 0.9300 | C9'—H9'B | 0.9700 |
C4—C5 | 1.380 (5) | C10'—H10C | 0.9700 |
C4—H4 | 0.9300 | C10'—H10D | 0.9700 |
C5—C6 | 1.486 (5) | C11'—H11D | 0.9600 |
C6—C7 | 1.500 (4) | C11'—H11E | 0.9600 |
C7—H7A | 0.9600 | C11'—H11F | 0.9600 |
C7—H7B | 0.9600 | C12'—H12D | 0.9600 |
C7—H7C | 0.9600 | C12'—H12E | 0.9600 |
N3—C12 | 1.494 (9) | C12'—H12F | 0.9600 |
N5—Cu1—N2 | 169.17 (12) | C11—N3—Cu1 | 105.6 (16) |
N5—Cu1—N1 | 90.84 (12) | C10—N3—Cu1 | 111.3 (4) |
N2—Cu1—N1 | 79.51 (11) | N2—C8—C9 | 115.7 (4) |
N5—Cu1—N3 | 90.46 (12) | N2—C8—H8A | 108.3 |
N2—Cu1—N3 | 95.82 (11) | C9—C8—H8A | 108.3 |
N1—Cu1—N3 | 152.40 (12) | N2—C8—H8B | 108.3 |
N5—Cu1—N4 | 96.85 (13) | C9—C8—H8B | 108.3 |
N2—Cu1—N4 | 90.64 (11) | H8A—C8—H8B | 107.4 |
N1—Cu1—N4 | 106.39 (12) | C8—C9—C10 | 109.8 (7) |
N3—Cu1—N4 | 100.82 (12) | C8—C9—H9A | 109.7 |
C1—N1—C5 | 117.9 (3) | C10—C9—H9A | 109.7 |
C1—N1—Cu1 | 128.7 (3) | C8—C9—H9B | 109.7 |
C5—N1—Cu1 | 113.4 (2) | C10—C9—H9B | 109.7 |
C6—N2—C8 | 119.9 (3) | H9A—C9—H9B | 108.2 |
C6—N2—Cu1 | 116.6 (2) | C9—C10—N3 | 110.5 (7) |
C8—N2—Cu1 | 123.3 (2) | C9—C10—H10A | 109.5 |
C13—N4—Cu1 | 152.2 (3) | N3—C10—H10A | 109.5 |
C14—N5—Cu1 | 169.4 (3) | C9—C10—H10B | 109.5 |
N1—C1—C2 | 123.3 (4) | N3—C10—H10B | 109.5 |
N1—C1—H1 | 118.4 | H10A—C10—H10B | 108.1 |
C2—C1—H1 | 118.4 | N3—C11—H11A | 109.5 |
C3—C2—C1 | 118.6 (4) | N3—C11—H11B | 109.5 |
C3—C2—H2 | 120.7 | H11A—C11—H11B | 109.5 |
C1—C2—H2 | 120.7 | N3—C11—H11C | 109.5 |
C2—C3—C4 | 119.2 (4) | H11A—C11—H11C | 109.5 |
C2—C3—H3 | 120.4 | H11B—C11—H11C | 109.5 |
C4—C3—H3 | 120.4 | N3—C12—H12A | 109.5 |
C3—C4—C5 | 119.4 (4) | N3—C12—H12B | 109.5 |
C3—C4—H4 | 120.3 | H12A—C12—H12B | 109.5 |
C5—C4—H4 | 120.3 | N3—C12—H12C | 109.5 |
N1—C5—C4 | 121.6 (3) | H12A—C12—H12C | 109.5 |
N1—C5—C6 | 114.3 (3) | H12B—C12—H12C | 109.5 |
C4—C5—C6 | 124.1 (3) | C10'—C9'—H9'A | 107.7 |
N2—C6—C5 | 116.1 (3) | C10'—C9'—H9'B | 107.7 |
N2—C6—C7 | 125.6 (3) | H9'A—C9'—H9'B | 107.1 |
C5—C6—C7 | 118.3 (3) | C9'—C10'—H10C | 109.9 |
C6—C7—H7A | 109.5 | C9'—C10'—H10D | 109.9 |
C6—C7—H7B | 109.5 | H10C—C10'—H10D | 108.3 |
H7A—C7—H7B | 109.5 | H11D—C11'—H11E | 109.5 |
C6—C7—H7C | 109.5 | H11D—C11'—H11F | 109.5 |
H7A—C7—H7C | 109.5 | H11E—C11'—H11F | 109.5 |
H7B—C7—H7C | 109.5 | H12D—C12'—H12E | 109.5 |
C12—N3—C11 | 114 (2) | H12D—C12'—H12F | 109.5 |
C12—N3—C10 | 98.4 (18) | H12E—C12'—H12F | 109.5 |
C11—N3—C10 | 122.9 (19) | N4—C13—S1 | 178.9 (4) |
C12—N3—Cu1 | 102.7 (18) | N5—C14—S2 | 179.4 (3) |
Experimental details
Crystal data | |
Chemical formula | [Cu(NCS)2(C12H19N3)] |
Mr | 385.00 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 298 |
a, b, c (Å) | 13.723 (2), 7.2380 (12), 18.237 (3) |
β (°) | 103.559 (2) |
V (Å3) | 1760.9 (5) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 1.48 |
Crystal size (mm) | 0.23 × 0.21 × 0.21 |
Data collection | |
Diffractometer | Bruker SMART CCD diffractometer |
Absorption correction | Multi-scan (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.727, 0.746 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 13886, 3816, 2698 |
Rint | 0.041 |
(sin θ/λ)max (Å−1) | 0.639 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.042, 0.111, 1.04 |
No. of reflections | 3816 |
No. of parameters | 237 |
No. of restraints | 16 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.57, −0.47 |
Computer programs: SMART (Bruker, 1998), SAINT (Bruker, 1998), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).
Cu1—N5 | 1.955 (3) | Cu1—N3 | 2.078 (3) |
Cu1—N2 | 2.013 (3) | Cu1—N4 | 2.153 (3) |
Cu1—N1 | 2.047 (3) |
Acknowledgements
We thank the Top-Class Foundation and the Applied Chemistry Key Laboratory Foundation of Pingdingshan University.
References
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Recently, we have reported a copper(II) complex with a Schiff base ligand (Xue et al., 2010). In this paper, a new thiocyanato-coordinated mononuclear copper(II) complex with the Schiff base N,N-dimethyl-N'-(1-pyridin-2-ylethylidene)propane-1,3-diamine, is reported.
The Cu atom in the complex, Fig. 1, is five-coordinate in a square pyramidal geometry, with one pyridine N, one imine N, and one amine N atoms of a Schiff base ligand, and with one thiocyanate N atom, occupying the basal plane, and with another thiocyanate N atom occupying the apical position. The Cu atom displaced 0.306 (2) Å from the plane defined by the four basal donor atoms. The slight distortion of the square pyramidal coordination can be observed from the coordinate bond lengths and angles (Table 1).