metal-organic compounds
Bis(1H-imidazole-κN3)bis(1-naphthaleneacetato-κ2O,O′)cadmium(II)
aCollege of Science, Guang Dong Ocean University, Zhanjiang 524088, People's Republic of China, and bCollege of Food Science and Technology, Guang Dong Ocean University, Zhanjiang 524088, People's Republic of China
*Correspondence e-mail: songwd60@126.com
In the mononuclear title compound, [Cd(C12H9O2)2(C3H4N2)2], the CdII centre has a distorted octahedral coordination geometry defined by four O atoms from two naphthaleneacetate ligands and two N atoms from two imidazole ligands. The molecules are linked by N—H⋯O hydrogen bonds, forming a layer network.
Experimental
Crystal data
|
Refinement
|
Data collection: APEX2 (Bruker, 2004); cell SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.
Supporting information
10.1107/S1600536808009409/ng2436sup1.cif
contains datablocks I, global. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536808009409/ng2436Isup2.hkl
The title complex was prepared by the addition of a stoichiometric amount of cadmium chloride (1 mmol) and imidazole (1 mmol) to a hot aqueous solution(10 ml) of 1-naphthylacetic acid (1 mmol). the pH was then adjusted to 7.0 to 8.0 with NaOH (1 mmol). The resulting solution was filtered, and colorlee single crystals were obtained at room temperature over several days.
All H-atoms were placed in calculated positions with C—H = 0.93–0.97 Å, N—H = 0.86 Å; refined using a riding model with Uiso(H) = 1.2 or 1.5 Ueq(C, N).
Data collection: APEX2 (Bruker, 2004); cell
SAINT (Bruker, 2004); data reduction: SAINT (Bruker, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).Fig. 1. The structure of (I), showing the atomic numbering scheme. Non-H atoms are shown as 30% probability displacement ellipsoids. | |
Fig. 2. The packing of structure (I). |
[Cd(C12H9O2)2(C3H4N2)2] | F(000) = 1256 |
Mr = 618.95 | Dx = 1.496 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 5300 reflections |
a = 8.5275 (3) Å | θ = 1.3–28.0° |
b = 17.1596 (7) Å | µ = 0.84 mm−1 |
c = 19.1198 (6) Å | T = 296 K |
β = 100.735 (2)° | Block, colorless |
V = 2748.81 (17) Å3 | 0.26 × 0.23 × 0.21 mm |
Z = 4 |
Bruker APEXII area-detector diffractometer | 5399 independent reflections |
Radiation source: fine-focus sealed tube | 3336 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.089 |
ϕ and ω scans | θmax = 26.0°, θmin = 2.2° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −9→10 |
Tmin = 0.812, Tmax = 0.844 | k = −16→21 |
26061 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)] = 0.051 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.143 | H-atom parameters constrained |
S = 0.99 | w = 1/[σ2(Fo2) + (0.0533P)2 + 1.0058P] where P = (Fo2 + 2Fc2)/3 |
5399 reflections | (Δ/σ)max = 0.001 |
340 parameters | Δρmax = 0.57 e Å−3 |
0 restraints | Δρmin = −1.16 e Å−3 |
[Cd(C12H9O2)2(C3H4N2)2] | V = 2748.81 (17) Å3 |
Mr = 618.95 | Z = 4 |
Monoclinic, P21/n | Mo Kα radiation |
a = 8.5275 (3) Å | µ = 0.84 mm−1 |
b = 17.1596 (7) Å | T = 296 K |
c = 19.1198 (6) Å | 0.26 × 0.23 × 0.21 mm |
β = 100.735 (2)° |
Bruker APEXII area-detector diffractometer | 5399 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 3336 reflections with I > 2σ(I) |
Tmin = 0.812, Tmax = 0.844 | Rint = 0.089 |
26061 measured reflections |
R[F2 > 2σ(F2)] = 0.051 | 0 restraints |
wR(F2) = 0.143 | H-atom parameters constrained |
S = 0.99 | Δρmax = 0.57 e Å−3 |
5399 reflections | Δρmin = −1.16 e Å−3 |
340 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 | 0.3023 (7) | 0.6405 (3) | 0.3585 (3) | 0.0583 (14) | |
C2 | 0.3810 (7) | 0.6218 (4) | 0.4342 (3) | 0.0694 (16) | |
H2A | 0.3450 | 0.6594 | 0.4656 | 0.083* | |
H2B | 0.3449 | 0.5708 | 0.4463 | 0.083* | |
C3 | 0.5602 (7) | 0.6219 (3) | 0.4484 (2) | 0.0581 (14) | |
C4 | 0.6434 (8) | 0.6822 (3) | 0.4844 (3) | 0.0656 (16) | |
H4 | 0.5878 | 0.7224 | 0.5016 | 0.079* | |
C5 | 0.8115 (8) | 0.6849 (3) | 0.4962 (3) | 0.0639 (15) | |
H5 | 0.8652 | 0.7265 | 0.5212 | 0.077* | |
C6 | 0.8959 (7) | 0.6271 (3) | 0.4713 (2) | 0.0595 (14) | |
H6 | 1.0067 | 0.6297 | 0.4790 | 0.071* | |
C7 | 0.8159 (7) | 0.5633 (3) | 0.4339 (2) | 0.0540 (13) | |
C8 | 0.9015 (7) | 0.5033 (4) | 0.4069 (3) | 0.0649 (15) | |
H8 | 1.0124 | 0.5052 | 0.4145 | 0.078* | |
C9 | 0.8232 (9) | 0.4431 (4) | 0.3701 (3) | 0.0785 (18) | |
H9 | 0.8802 | 0.4038 | 0.3525 | 0.094* | |
C10 | 0.6560 (9) | 0.4402 (4) | 0.3585 (4) | 0.088 (2) | |
H10 | 0.6025 | 0.3991 | 0.3326 | 0.105* | |
C11 | 0.5716 (7) | 0.4966 (4) | 0.3845 (3) | 0.0716 (16) | |
H11 | 0.4609 | 0.4927 | 0.3771 | 0.086* | |
C12 | 0.6464 (6) | 0.5606 (3) | 0.4223 (2) | 0.0543 (13) | |
C13 | 0.2197 (7) | 0.6142 (3) | 0.1108 (2) | 0.0593 (14) | |
C14 | 0.2727 (9) | 0.5800 (4) | 0.0458 (3) | 0.0794 (19) | |
H14A | 0.1911 | 0.5918 | 0.0046 | 0.095* | |
H14B | 0.3691 | 0.6070 | 0.0394 | 0.095* | |
C15 | 0.3051 (9) | 0.4945 (4) | 0.0457 (3) | 0.0718 (17) | |
C16 | 0.2010 (9) | 0.4454 (4) | 0.0041 (3) | 0.092 (2) | |
H16 | 0.1081 | 0.4658 | −0.0230 | 0.111* | |
C17 | 0.2301 (11) | 0.3654 (5) | 0.0011 (4) | 0.101 (3) | |
H17 | 0.1559 | 0.3335 | −0.0272 | 0.121* | |
C18 | 0.3651 (12) | 0.3339 (5) | 0.0390 (5) | 0.102 (3) | |
H18 | 0.3832 | 0.2806 | 0.0361 | 0.122* | |
C19 | 0.4786 (9) | 0.3811 (4) | 0.0827 (3) | 0.0738 (18) | |
C20 | 0.6198 (11) | 0.3493 (5) | 0.1221 (4) | 0.091 (2) | |
H20 | 0.6394 | 0.2962 | 0.1192 | 0.109* | |
C21 | 0.7265 (12) | 0.3946 (6) | 0.1637 (4) | 0.113 (3) | |
H21 | 0.8192 | 0.3730 | 0.1898 | 0.135* | |
C22 | 0.6983 (11) | 0.4739 (6) | 0.1678 (4) | 0.108 (3) | |
H22 | 0.7731 | 0.5048 | 0.1968 | 0.129* | |
C23 | 0.5650 (10) | 0.5074 (4) | 0.1308 (3) | 0.085 (2) | |
H23 | 0.5502 | 0.5608 | 0.1348 | 0.102* | |
C24 | 0.4467 (9) | 0.4625 (3) | 0.0858 (3) | 0.0684 (18) | |
C25 | −0.1907 (7) | 0.6672 (3) | 0.2707 (3) | 0.0589 (14) | |
H25 | −0.1394 | 0.6407 | 0.3110 | 0.071* | |
C26 | −0.2362 (7) | 0.7286 (3) | 0.1729 (3) | 0.0626 (15) | |
H26 | −0.2210 | 0.7536 | 0.1315 | 0.075* | |
C27 | −0.3772 (8) | 0.7215 (4) | 0.1936 (3) | 0.0734 (16) | |
H27 | −0.4758 | 0.7394 | 0.1699 | 0.088* | |
C28 | 0.2489 (10) | 0.8574 (4) | 0.2921 (3) | 0.099 (3) | |
H28 | 0.2326 | 0.8398 | 0.3362 | 0.118* | |
C29 | 0.2722 (7) | 0.8611 (3) | 0.1845 (3) | 0.0635 (15) | |
H29 | 0.2723 | 0.8466 | 0.1376 | 0.076* | |
C30 | 0.3157 (7) | 0.9321 (4) | 0.2124 (3) | 0.0698 (16) | |
H30 | 0.3521 | 0.9743 | 0.1894 | 0.084* | |
Cd1 | 0.14721 (4) | 0.68863 (2) | 0.227269 (18) | 0.05146 (17) | |
N1 | 0.2286 (6) | 0.8142 (2) | 0.2344 (2) | 0.0604 (12) | |
N2 | 0.2951 (7) | 0.9287 (3) | 0.2801 (3) | 0.0800 (15) | |
H2 | 0.3095 | 0.9664 | 0.3103 | 0.096* | |
N3 | −0.1180 (5) | 0.6943 (2) | 0.2210 (2) | 0.0542 (11) | |
N4 | −0.3455 (6) | 0.6822 (3) | 0.2569 (3) | 0.0648 (13) | |
H4A | −0.4137 | 0.6697 | 0.2829 | 0.078* | |
O1 | 0.1546 (5) | 0.6372 (3) | 0.3436 (2) | 0.0823 (9) | |
O2 | 0.3806 (5) | 0.6581 (3) | 0.3125 (2) | 0.0823 (9) | |
O3 | 0.2221 (6) | 0.6855 (2) | 0.1175 (2) | 0.0803 (9) | |
O4 | 0.1694 (6) | 0.5712 (2) | 0.1548 (2) | 0.0803 (9) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.051 (4) | 0.061 (4) | 0.066 (3) | 0.015 (3) | 0.019 (3) | 0.004 (3) |
C2 | 0.059 (4) | 0.093 (5) | 0.059 (3) | 0.003 (3) | 0.016 (3) | 0.003 (3) |
C3 | 0.056 (4) | 0.074 (4) | 0.044 (3) | 0.010 (3) | 0.009 (3) | 0.005 (3) |
C4 | 0.073 (5) | 0.074 (4) | 0.048 (3) | 0.014 (3) | 0.006 (3) | −0.005 (3) |
C5 | 0.076 (5) | 0.064 (4) | 0.048 (3) | −0.007 (3) | 0.001 (3) | 0.000 (3) |
C6 | 0.054 (4) | 0.064 (4) | 0.057 (3) | −0.002 (3) | 0.001 (3) | 0.007 (3) |
C7 | 0.056 (4) | 0.062 (3) | 0.043 (2) | 0.004 (3) | 0.005 (2) | 0.012 (2) |
C8 | 0.054 (4) | 0.070 (4) | 0.068 (3) | 0.011 (3) | 0.004 (3) | 0.002 (3) |
C9 | 0.076 (5) | 0.069 (4) | 0.089 (4) | 0.020 (4) | 0.012 (4) | −0.002 (3) |
C10 | 0.088 (6) | 0.067 (4) | 0.101 (5) | 0.003 (4) | 0.002 (4) | −0.019 (4) |
C11 | 0.054 (4) | 0.075 (4) | 0.081 (4) | −0.005 (3) | −0.001 (3) | −0.004 (3) |
C12 | 0.050 (3) | 0.061 (3) | 0.051 (3) | 0.002 (3) | 0.006 (3) | 0.005 (2) |
C13 | 0.070 (4) | 0.060 (4) | 0.050 (3) | 0.011 (3) | 0.017 (3) | 0.009 (2) |
C14 | 0.109 (6) | 0.077 (4) | 0.061 (3) | 0.011 (4) | 0.036 (4) | 0.007 (3) |
C15 | 0.092 (5) | 0.078 (4) | 0.053 (3) | 0.004 (4) | 0.034 (3) | −0.011 (3) |
C16 | 0.095 (6) | 0.103 (6) | 0.084 (4) | 0.011 (5) | 0.030 (4) | −0.037 (4) |
C17 | 0.092 (6) | 0.097 (6) | 0.121 (6) | −0.013 (5) | 0.038 (5) | −0.055 (5) |
C18 | 0.118 (7) | 0.078 (5) | 0.130 (6) | −0.013 (5) | 0.076 (6) | −0.036 (5) |
C19 | 0.098 (6) | 0.061 (4) | 0.072 (4) | 0.002 (4) | 0.041 (4) | −0.009 (3) |
C20 | 0.127 (7) | 0.072 (5) | 0.081 (4) | 0.014 (5) | 0.040 (5) | 0.002 (4) |
C21 | 0.145 (9) | 0.113 (7) | 0.080 (5) | 0.028 (6) | 0.019 (5) | 0.005 (5) |
C22 | 0.122 (8) | 0.106 (7) | 0.091 (5) | −0.014 (6) | 0.007 (5) | −0.020 (5) |
C23 | 0.120 (7) | 0.065 (4) | 0.074 (4) | −0.007 (5) | 0.027 (4) | −0.002 (4) |
C24 | 0.104 (5) | 0.057 (4) | 0.055 (3) | −0.010 (4) | 0.043 (4) | −0.007 (3) |
C25 | 0.046 (3) | 0.070 (4) | 0.063 (3) | 0.003 (3) | 0.014 (3) | 0.011 (3) |
C26 | 0.072 (4) | 0.058 (3) | 0.057 (3) | 0.005 (3) | 0.011 (3) | 0.008 (3) |
C27 | 0.056 (4) | 0.079 (4) | 0.080 (4) | −0.002 (3) | 0.002 (3) | 0.004 (4) |
C28 | 0.166 (8) | 0.062 (4) | 0.088 (4) | −0.022 (4) | 0.077 (5) | −0.009 (3) |
C29 | 0.082 (4) | 0.052 (4) | 0.058 (3) | 0.002 (3) | 0.019 (3) | 0.004 (3) |
C30 | 0.079 (5) | 0.059 (4) | 0.076 (4) | 0.003 (3) | 0.028 (3) | 0.010 (3) |
Cd1 | 0.0507 (3) | 0.0500 (3) | 0.0565 (2) | −0.00004 (18) | 0.01726 (19) | 0.00188 (17) |
N1 | 0.067 (3) | 0.054 (3) | 0.066 (3) | −0.004 (2) | 0.029 (2) | −0.008 (2) |
N2 | 0.106 (4) | 0.050 (3) | 0.094 (3) | −0.017 (3) | 0.045 (3) | −0.014 (3) |
N3 | 0.048 (3) | 0.058 (3) | 0.059 (2) | 0.004 (2) | 0.017 (2) | 0.009 (2) |
N4 | 0.053 (3) | 0.071 (3) | 0.074 (3) | −0.003 (2) | 0.023 (2) | 0.005 (2) |
O1 | 0.0491 (18) | 0.123 (3) | 0.0752 (18) | 0.0087 (18) | 0.0131 (15) | 0.0229 (18) |
O2 | 0.0491 (18) | 0.123 (3) | 0.0752 (18) | 0.0087 (18) | 0.0131 (15) | 0.0229 (18) |
O3 | 0.125 (3) | 0.0522 (18) | 0.0756 (17) | 0.0066 (17) | 0.0499 (18) | 0.0068 (14) |
O4 | 0.125 (3) | 0.0522 (18) | 0.0756 (17) | 0.0066 (17) | 0.0499 (18) | 0.0068 (14) |
C1—O2 | 1.236 (6) | C18—C19 | 1.412 (10) |
C1—O1 | 1.240 (6) | C18—H18 | 0.9300 |
C1—C2 | 1.513 (7) | C19—C20 | 1.407 (9) |
C2—C3 | 1.501 (8) | C19—C24 | 1.426 (8) |
C2—H2A | 0.9700 | C20—C21 | 1.340 (11) |
C2—H2B | 0.9700 | C20—H20 | 0.9300 |
C3—C4 | 1.366 (8) | C21—C22 | 1.386 (11) |
C3—C12 | 1.425 (7) | C21—H21 | 0.9300 |
C4—C5 | 1.410 (9) | C22—C23 | 1.350 (10) |
C4—H4 | 0.9300 | C22—H22 | 0.9300 |
C5—C6 | 1.362 (7) | C23—C24 | 1.423 (9) |
C5—H5 | 0.9300 | C23—H23 | 0.9300 |
C6—C7 | 1.413 (7) | C25—N3 | 1.313 (6) |
C6—H6 | 0.9300 | C25—N4 | 1.323 (7) |
C7—C8 | 1.414 (7) | C25—H25 | 0.9300 |
C7—C12 | 1.422 (7) | C26—C27 | 1.340 (8) |
C8—C9 | 1.354 (8) | C26—N3 | 1.365 (7) |
C8—H8 | 0.9300 | C26—H26 | 0.9300 |
C9—C10 | 1.402 (9) | C27—N4 | 1.367 (8) |
C9—H9 | 0.9300 | C27—H27 | 0.9300 |
C10—C11 | 1.356 (8) | C28—N1 | 1.315 (7) |
C10—H10 | 0.9300 | C28—N2 | 1.319 (7) |
C11—C12 | 1.402 (7) | C28—H28 | 0.9300 |
C11—H11 | 0.9300 | C29—N1 | 1.352 (6) |
C13—O3 | 1.230 (6) | C29—C30 | 1.355 (7) |
C13—O4 | 1.252 (6) | C29—H29 | 0.9300 |
C13—C14 | 1.517 (7) | C30—N2 | 1.339 (7) |
C14—C15 | 1.494 (8) | C30—H30 | 0.9300 |
C14—H14A | 0.9700 | Cd1—N3 | 2.244 (4) |
C14—H14B | 0.9700 | Cd1—N1 | 2.259 (4) |
C15—C16 | 1.367 (9) | Cd1—O3 | 2.306 (3) |
C15—C24 | 1.415 (9) | Cd1—O1 | 2.384 (4) |
C16—C17 | 1.398 (10) | Cd1—O2 | 2.384 (4) |
C16—H16 | 0.9300 | Cd1—O4 | 2.473 (4) |
C17—C18 | 1.353 (11) | N2—H2 | 0.8600 |
C17—H17 | 0.9300 | N4—H4A | 0.8600 |
O2—C1—O1 | 120.6 (5) | C21—C20—H20 | 119.6 |
O2—C1—C2 | 122.0 (5) | C19—C20—H20 | 119.6 |
O1—C1—C2 | 117.4 (4) | C20—C21—C22 | 119.8 (9) |
C3—C2—C1 | 115.3 (4) | C20—C21—H21 | 120.1 |
C3—C2—H2A | 108.4 | C22—C21—H21 | 120.1 |
C1—C2—H2A | 108.4 | C23—C22—C21 | 121.7 (8) |
C3—C2—H2B | 108.4 | C23—C22—H22 | 119.1 |
C1—C2—H2B | 108.4 | C21—C22—H22 | 119.1 |
H2A—C2—H2B | 107.5 | C22—C23—C24 | 121.3 (7) |
C4—C3—C12 | 118.8 (5) | C22—C23—H23 | 119.4 |
C4—C3—C2 | 120.5 (5) | C24—C23—H23 | 119.4 |
C12—C3—C2 | 120.6 (5) | C15—C24—C23 | 123.8 (6) |
C3—C4—C5 | 121.5 (5) | C15—C24—C19 | 120.4 (6) |
C3—C4—H4 | 119.3 | C23—C24—C19 | 115.8 (7) |
C5—C4—H4 | 119.3 | N3—C25—N4 | 112.0 (5) |
C6—C5—C4 | 120.5 (5) | N3—C25—H25 | 124.0 |
C6—C5—H5 | 119.7 | N4—C25—H25 | 124.0 |
C4—C5—H5 | 119.7 | C27—C26—N3 | 110.7 (5) |
C5—C6—C7 | 120.3 (5) | C27—C26—H26 | 124.7 |
C5—C6—H6 | 119.8 | N3—C26—H26 | 124.7 |
C7—C6—H6 | 119.8 | C26—C27—N4 | 105.4 (6) |
C6—C7—C8 | 121.1 (5) | C26—C27—H27 | 127.3 |
C6—C7—C12 | 119.0 (5) | N4—C27—H27 | 127.3 |
C8—C7—C12 | 119.9 (5) | N1—C28—N2 | 112.0 (5) |
C9—C8—C7 | 120.5 (6) | N1—C28—H28 | 124.0 |
C9—C8—H8 | 119.8 | N2—C28—H28 | 124.0 |
C7—C8—H8 | 119.8 | N1—C29—C30 | 110.4 (5) |
C8—C9—C10 | 119.9 (6) | N1—C29—H29 | 124.8 |
C8—C9—H9 | 120.1 | C30—C29—H29 | 124.8 |
C10—C9—H9 | 120.1 | N2—C30—C29 | 105.4 (5) |
C11—C10—C9 | 120.7 (6) | N2—C30—H30 | 127.3 |
C11—C10—H10 | 119.7 | C29—C30—H30 | 127.3 |
C9—C10—H10 | 119.7 | N3—Cd1—N1 | 104.92 (16) |
C10—C11—C12 | 121.8 (6) | N3—Cd1—O3 | 113.55 (17) |
C10—C11—H11 | 119.1 | N1—Cd1—O3 | 86.72 (14) |
C12—C11—H11 | 119.1 | N3—Cd1—O1 | 85.25 (14) |
C11—C12—C7 | 117.2 (5) | N1—Cd1—O1 | 110.02 (16) |
C11—C12—C3 | 123.0 (5) | O3—Cd1—O1 | 151.34 (16) |
C7—C12—C3 | 119.8 (5) | N3—Cd1—O2 | 138.65 (14) |
O3—C13—O4 | 121.1 (5) | N1—Cd1—O2 | 87.71 (17) |
O3—C13—C14 | 117.9 (5) | O3—Cd1—O2 | 106.24 (15) |
O4—C13—C14 | 121.0 (5) | O1—Cd1—O2 | 53.62 (13) |
C15—C14—C13 | 117.6 (4) | N3—Cd1—O4 | 100.77 (15) |
C15—C14—H14A | 107.9 | N1—Cd1—O4 | 139.07 (13) |
C13—C14—H14A | 107.9 | O3—Cd1—O4 | 53.65 (12) |
C15—C14—H14B | 107.9 | O1—Cd1—O4 | 103.32 (14) |
C13—C14—H14B | 107.9 | O2—Cd1—O4 | 93.62 (16) |
H14A—C14—H14B | 107.2 | C28—N1—C29 | 104.2 (5) |
C16—C15—C24 | 118.3 (6) | C28—N1—Cd1 | 125.4 (4) |
C16—C15—C14 | 120.4 (7) | C29—N1—Cd1 | 130.3 (3) |
C24—C15—C14 | 121.3 (6) | C28—N2—C30 | 107.8 (5) |
C15—C16—C17 | 121.9 (8) | C28—N2—H2 | 126.1 |
C15—C16—H16 | 119.1 | C30—N2—H2 | 126.1 |
C17—C16—H16 | 119.1 | C25—N3—C26 | 104.5 (5) |
C18—C17—C16 | 120.7 (8) | C25—N3—Cd1 | 123.6 (4) |
C18—C17—H17 | 119.6 | C26—N3—Cd1 | 131.7 (3) |
C16—C17—H17 | 119.6 | C25—N4—C27 | 107.4 (5) |
C17—C18—C19 | 120.5 (8) | C25—N4—H4A | 126.3 |
C17—C18—H18 | 119.7 | C27—N4—H4A | 126.3 |
C19—C18—H18 | 119.7 | C1—O1—Cd1 | 92.6 (3) |
C20—C19—C18 | 121.2 (7) | C1—O2—Cd1 | 92.7 (3) |
C20—C19—C24 | 120.6 (7) | C13—O3—Cd1 | 96.7 (3) |
C18—C19—C24 | 118.2 (8) | C13—O4—Cd1 | 88.2 (3) |
C21—C20—C19 | 120.8 (8) |
D—H···A | D—H | H···A | D···A | D—H···A |
N2—H2···O4i | 0.86 | 1.92 | 2.735 (6) | 159 |
N4—H4A···O2ii | 0.86 | 1.95 | 2.772 (6) | 159 |
Symmetry codes: (i) −x+1/2, y+1/2, −z+1/2; (ii) x−1, y, z. |
Experimental details
Crystal data | |
Chemical formula | [Cd(C12H9O2)2(C3H4N2)2] |
Mr | 618.95 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 296 |
a, b, c (Å) | 8.5275 (3), 17.1596 (7), 19.1198 (6) |
β (°) | 100.735 (2) |
V (Å3) | 2748.81 (17) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 0.84 |
Crystal size (mm) | 0.26 × 0.23 × 0.21 |
Data collection | |
Diffractometer | Bruker APEXII area-detector diffractometer |
Absorption correction | Multi-scan (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.812, 0.844 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 26061, 5399, 3336 |
Rint | 0.089 |
(sin θ/λ)max (Å−1) | 0.617 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.051, 0.143, 0.99 |
No. of reflections | 5399 |
No. of parameters | 340 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.57, −1.16 |
Computer programs: APEX2 (Bruker, 2004), SAINT (Bruker, 2004), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), XP in SHELXTL (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).
D—H···A | D—H | H···A | D···A | D—H···A |
N2—H2···O4i | 0.86 | 1.92 | 2.735 (6) | 158.7 |
N4—H4A···O2ii | 0.86 | 1.95 | 2.772 (6) | 159.1 |
Symmetry codes: (i) −x+1/2, y+1/2, −z+1/2; (ii) x−1, y, z. |
Acknowledgements
The authors acknowledge Guang Dong Ocean University for supporting this work.
References
Bruker (2004). APEX2 and SAINT. Bruker AXS Inc, Madison, Wisconsin, USA. Google Scholar
Duan, J.-G., Liu, J.-W. & Wu, S. (2007). Acta Cryst. E63, m692–m694. Web of Science CSD CrossRef CAS IUCr Journals Google Scholar
Liu, J.-W., Wang, W.-Y. & Gu, C.-S. (2006). Acta Cryst. E62, m3445–m3447. Web of Science CSD CrossRef IUCr Journals Google Scholar
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
naphthaleneacetate is nice ligand which has versatile bonding modes to metal ions and easily forms simple complexes (Liu et al., 2006; Duan et al., 2007). Recently, we obtained the mononuclear cadmium complex, (I), its crystal structure is reported here. Recently, we obtained the title novel mononuclear complex (I), by the reaction of cadmium chloride, 1-naphthylacetic acid and imidazole in an aqueous solution, and its crystal structure is reported here.
As depicted in Fig. 1, the CdII centre in (I) presents a distorted octahedral coordination geometry, defined by four O atoms from two 1-naphthaleneacetate ligands, and two N atoms from two imidazole ligands. The structural packing is governed by N—H···o hydrogen bonding interaction (Table 1) to form a layered network (Fig. 2).