supplementary materials
catena-Poly[[{2-methoxy-6-[(4-methylphenyl)iminomethyl]phenolato}cadmium(II)]-di-![[mu]](/logos/entities/mu_rmgif.gif)
2-chlorido-[dimethanolcadmium(II)]-di-2-chlorido-[{2-methoxy-6-[(4-methylphenyl)iminomethyl]phenolato}cadmium(II)]-di-2-chlorido]
The structure of the title compound, [Cd3Cl6(C15H15NO2)2(CH4O)2]n, is based on a layered zigzag polymeric chain along the c axis. The CdII ions are linked by double chlorine bridges alternating between one CdCl4(CH3OH)2 and two CdCl4(C15H15NO2) octahedral coordination units. Additional intrachain N-H
O and O-HCl hydrogen-bond interactions stabilize this arrangement.
A solution of CdCl2 (2 mmol) in methanol (20 ml) was added to a methanol
solution (20 ml) of the Schiff base ligand (2 mmol, 0.48 g). Red crystals of
(I) were isolated after two weeks.
The H atoms bonded to C and N atoms were positioned geometrically and refined
using a riding model [aromatic C—H 0.93 Å, methylic C—H = 0.96 Å and
N—H = 0.86 Å, Uiso(H) = 1.2 or 1.5Ueq(C, N)]. The H
atoms bonded to O atoms were located in a difference Fourier maps and refined
with O—H distance restraints of 0.85 (2) and Uiso(H) =
1.5Ueq(O).
Data collection: SMART (Bruker, 2004); cell refinement: 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: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).
catena-Poly[[{2-methoxy-6-[(4-methylphenyl)iminomethyl]phenolato}cadmium(II)]-
di-µ
2-chlorido-[dimethanolcadmium(II)]-di-µ
2-chlorido-[{2-methoxy-6-
[(4-methylphenyl)iminomethyl]phenolato}cadmium(II)]-di-µ
2-chlorido]
top
Crystal data top
| [Cd3Cl6(C15H15NO2)2(CH4O)2] | F(000) = 2152 |
| Mr = 1096.57 | Dx = 1.860 Mg m−3 |
| Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
| Hall symbol: -C 2yc | Cell parameters from 3942 reflections |
| a = 19.7697 (5) Å | θ = 1.8–25.0° |
| b = 13.9554 (3) Å | µ = 2.07 mm−1 |
| c = 15.1449 (4) Å | T = 296 K |
| β = 110.423 (1)° | Block, red |
| V = 3915.74 (17) Å3 | 0.15 × 0.13 × 0.05 mm |
| Z = 4 | |
Data collection top
Bruker APEXII
diffractometer | 3350 independent reflections |
| Radiation source: fine-focus sealed tube | 2773 reflections with I > 2σ(I) |
| graphite | Rint = 0.033 |
| ω scans | θmax = 25.0°, θmin = 1.8° |
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996) | h = −23→23 |
| Tmin = 0.736, Tmax = 0.898 | k = −16→16 |
| 13592 measured reflections | l = −15→18 |
Refinement top
| 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)] = 0.026 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.060 | H atoms treated by a mixture of independent and constrained refinement |
| S = 1.05 | w = 1/[σ2(Fo2) + (0.0247P)2 + 2.9063P]
where P = (Fo2 + 2Fc2)/3 |
| 3350 reflections | (Δ/σ)max = 0.002 |
| 226 parameters | Δρmax = 0.36 e Å−3 |
| 1 restraint | Δρmin = −0.34 e Å−3 |
Crystal data top
| [Cd3Cl6(C15H15NO2)2(CH4O)2] | V = 3915.74 (17) Å3 |
| Mr = 1096.57 | Z = 4 |
| Monoclinic, C2/c | Mo Kα radiation |
| a = 19.7697 (5) Å | µ = 2.07 mm−1 |
| b = 13.9554 (3) Å | T = 296 K |
| c = 15.1449 (4) Å | 0.15 × 0.13 × 0.05 mm |
| β = 110.423 (1)° | |
Data collection top
Bruker APEXII
diffractometer | 2773 reflections with I > 2σ(I) |
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996) | Rint = 0.033 |
| Tmin = 0.736, Tmax = 0.898 | θmax = 25.0° |
| 13592 measured reflections | Standard reflections: 0 |
| 3350 independent reflections | |
Refinement top
| R[F2 > 2σ(F2)] = 0.026 | H atoms treated by a mixture of independent and constrained refinement |
| wR(F2) = 0.060 | Δρmax = 0.36 e Å−3 |
| S = 1.05 | Δρmin = −0.34 e Å−3 |
| 3350 reflections | Absolute structure: ? |
| 226 parameters | Flack parameter: ? |
| 1 restraint | Rogers parameter: ? |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top| | x | y | z | Uiso*/Ueq | |
| Cd1 | 0.542829 (14) | 1.284415 (15) | −0.113758 (18) | 0.04061 (9) | |
| Cd2 | 0.5000 | 1.5000 | 0.0000 | 0.04260 (11) | |
| N1 | 0.46501 (15) | 0.97593 (18) | −0.16754 (19) | 0.0373 (6) | |
| H1D | 0.4710 | 1.0367 | −0.1704 | 0.045* | |
| O1 | 0.53998 (12) | 1.12806 (14) | −0.10453 (16) | 0.0440 (6) | |
| O2 | 0.65586 (13) | 1.21264 (15) | 0.01463 (18) | 0.0502 (6) | |
| O3 | 0.41084 (17) | 1.48567 (18) | −0.1495 (2) | 0.0734 (9) | |
| H3C | 0.406 (3) | 1.431 (2) | −0.174 (3) | 0.110* | |
| Cl1 | 0.59671 (6) | 1.44929 (6) | −0.07253 (8) | 0.0632 (3) | |
| Cl2 | 0.48990 (5) | 1.31686 (6) | 0.02126 (6) | 0.0447 (2) | |
| Cl3 | 0.41178 (5) | 1.27831 (6) | −0.24124 (6) | 0.0449 (2) | |
| C1 | 0.2053 (2) | 0.8336 (3) | −0.4388 (3) | 0.0702 (12) | |
| H1A | 0.2054 | 0.7648 | −0.4396 | 0.105* | |
| H1B | 0.1995 | 0.8574 | −0.5005 | 0.105* | |
| H1C | 0.1661 | 0.8558 | −0.4206 | 0.105* | |
| C2 | 0.27528 (19) | 0.8692 (2) | −0.3696 (3) | 0.0470 (9) | |
| C3 | 0.3294 (2) | 0.8076 (2) | −0.3173 (3) | 0.0534 (10) | |
| H3A | 0.3228 | 0.7420 | −0.3272 | 0.064* | |
| C4 | 0.3923 (2) | 0.8400 (2) | −0.2515 (3) | 0.0487 (9) | |
| H4A | 0.4278 | 0.7968 | −0.2177 | 0.058* | |
| C5 | 0.40256 (18) | 0.9373 (2) | −0.2360 (2) | 0.0361 (8) | |
| C6 | 0.3509 (2) | 1.0007 (2) | −0.2894 (3) | 0.0433 (8) | |
| H6A | 0.3586 | 1.0664 | −0.2814 | 0.052* | |
| C7 | 0.28796 (19) | 0.9666 (2) | −0.3544 (3) | 0.0469 (9) | |
| H7A | 0.2530 | 1.0098 | −0.3891 | 0.056* | |
| C8 | 0.51477 (18) | 0.9305 (2) | −0.1005 (2) | 0.0373 (8) | |
| H8A | 0.5095 | 0.8648 | −0.0947 | 0.045* | |
| C9 | 0.57599 (18) | 0.9754 (2) | −0.0364 (2) | 0.0356 (8) | |
| C10 | 0.6274 (2) | 0.9190 (2) | 0.0325 (3) | 0.0498 (9) | |
| H10A | 0.6196 | 0.8537 | 0.0365 | 0.060* | |
| C11 | 0.6876 (2) | 0.9600 (3) | 0.0925 (3) | 0.0557 (10) | |
| H11A | 0.7218 | 0.9222 | 0.1367 | 0.067* | |
| C12 | 0.6997 (2) | 1.0591 (3) | 0.0893 (3) | 0.0510 (9) | |
| H12A | 0.7414 | 1.0863 | 0.1315 | 0.061* | |
| C13 | 0.65035 (18) | 1.1156 (2) | 0.0245 (2) | 0.0398 (8) | |
| C14 | 0.58669 (17) | 1.0755 (2) | −0.0415 (2) | 0.0344 (7) | |
| C15 | 0.7108 (2) | 1.2622 (3) | 0.0885 (3) | 0.0693 (12) | |
| H15A | 0.7460 | 1.2170 | 0.1252 | 0.104* | |
| H15B | 0.6893 | 1.2942 | 0.1282 | 0.104* | |
| H15C | 0.7338 | 1.3084 | 0.0614 | 0.104* | |
| C16 | 0.3865 (3) | 1.5562 (4) | −0.2154 (3) | 0.110 (2) | |
| H16A | 0.3495 | 1.5309 | −0.2701 | 0.165* | |
| H16B | 0.4257 | 1.5796 | −0.2329 | 0.165* | |
| H16C | 0.3670 | 1.6078 | −0.1897 | 0.165* | |
Atomic displacement parameters (Å2) top| | U11 | U22 | U33 | U12 | U13 | U23 |
| Cd1 | 0.04572 (18) | 0.02655 (13) | 0.04443 (16) | −0.00188 (10) | 0.00927 (13) | −0.00170 (10) |
| Cd2 | 0.0499 (3) | 0.02725 (18) | 0.0422 (2) | 0.00221 (15) | 0.00547 (19) | −0.00150 (14) |
| N1 | 0.0407 (18) | 0.0263 (13) | 0.0430 (17) | −0.0029 (12) | 0.0120 (15) | −0.0001 (12) |
| O1 | 0.0432 (15) | 0.0273 (11) | 0.0472 (14) | 0.0025 (10) | −0.0022 (12) | 0.0032 (10) |
| O2 | 0.0454 (16) | 0.0383 (13) | 0.0571 (16) | −0.0100 (11) | 0.0055 (13) | −0.0043 (11) |
| O3 | 0.086 (2) | 0.0433 (16) | 0.0607 (19) | 0.0093 (15) | −0.0132 (17) | −0.0099 (14) |
| Cl1 | 0.0737 (7) | 0.0389 (5) | 0.0889 (8) | −0.0198 (5) | 0.0433 (6) | −0.0183 (5) |
| Cl2 | 0.0541 (6) | 0.0300 (4) | 0.0472 (5) | −0.0023 (4) | 0.0141 (5) | 0.0016 (4) |
| Cl3 | 0.0422 (5) | 0.0437 (5) | 0.0436 (5) | −0.0017 (4) | 0.0085 (4) | −0.0031 (4) |
| C1 | 0.044 (3) | 0.060 (3) | 0.087 (3) | −0.001 (2) | −0.002 (2) | −0.008 (2) |
| C2 | 0.039 (2) | 0.045 (2) | 0.053 (2) | −0.0029 (17) | 0.0115 (19) | −0.0053 (17) |
| C3 | 0.054 (3) | 0.0310 (18) | 0.065 (3) | −0.0059 (17) | 0.009 (2) | −0.0031 (17) |
| C4 | 0.047 (2) | 0.0344 (19) | 0.052 (2) | 0.0025 (16) | 0.002 (2) | 0.0024 (16) |
| C5 | 0.036 (2) | 0.0332 (17) | 0.0384 (19) | −0.0032 (14) | 0.0118 (17) | −0.0014 (14) |
| C6 | 0.048 (2) | 0.0312 (17) | 0.048 (2) | −0.0007 (16) | 0.0138 (19) | 0.0014 (15) |
| C7 | 0.038 (2) | 0.0418 (19) | 0.052 (2) | 0.0071 (16) | 0.005 (2) | 0.0014 (17) |
| C8 | 0.043 (2) | 0.0285 (16) | 0.039 (2) | 0.0009 (15) | 0.0134 (18) | 0.0027 (14) |
| C9 | 0.038 (2) | 0.0323 (16) | 0.0347 (19) | 0.0039 (14) | 0.0108 (17) | 0.0013 (14) |
| C10 | 0.059 (3) | 0.0365 (19) | 0.047 (2) | 0.0086 (18) | 0.009 (2) | 0.0056 (16) |
| C11 | 0.055 (3) | 0.048 (2) | 0.048 (2) | 0.0139 (19) | −0.002 (2) | 0.0068 (18) |
| C12 | 0.040 (2) | 0.058 (2) | 0.044 (2) | 0.0038 (18) | 0.0008 (19) | −0.0074 (18) |
| C13 | 0.040 (2) | 0.0357 (18) | 0.040 (2) | −0.0002 (15) | 0.0102 (18) | −0.0027 (15) |
| C14 | 0.037 (2) | 0.0319 (17) | 0.0341 (18) | 0.0030 (14) | 0.0121 (17) | −0.0015 (14) |
| C15 | 0.069 (3) | 0.059 (2) | 0.066 (3) | −0.026 (2) | 0.005 (2) | −0.016 (2) |
| C16 | 0.148 (6) | 0.076 (3) | 0.062 (3) | 0.018 (3) | −0.018 (3) | −0.001 (3) |
Geometric parameters (Å, °) top
| Cd1—O1 | 2.188 (2) | C2—C7 | 1.387 (5) |
| Cd1—Cl1 | 2.5208 (9) | C3—C4 | 1.371 (5) |
| Cd1—O2 | 2.597 (2) | C3—H3A | 0.9300 |
| Cd1—Cl3 | 2.6374 (9) | C4—C5 | 1.382 (4) |
| Cd1—Cl2 | 2.6410 (9) | C4—H4A | 0.9300 |
| Cd1—Cl3i | 2.6476 (9) | C5—C6 | 1.380 (4) |
| Cd2—O3ii | 2.343 (3) | C6—C7 | 1.375 (5) |
| Cd2—O3 | 2.343 (3) | C6—H6A | 0.9300 |
| Cd2—Cl2 | 2.5924 (8) | C7—H7A | 0.9300 |
| Cd2—Cl2ii | 2.5924 (8) | C8—C9 | 1.407 (4) |
| Cd2—Cl1 | 2.6133 (10) | C8—H8A | 0.9300 |
| Cd2—Cl1ii | 2.6133 (10) | C9—C10 | 1.414 (4) |
| N1—C8 | 1.306 (4) | C9—C14 | 1.418 (4) |
| N1—C5 | 1.413 (4) | C10—C11 | 1.348 (5) |
| N1—H1D | 0.8600 | C10—H10A | 0.9300 |
| O1—C14 | 1.299 (4) | C11—C12 | 1.408 (5) |
| O2—C13 | 1.372 (4) | C11—H11A | 0.9300 |
| O2—C15 | 1.435 (4) | C12—C13 | 1.366 (5) |
| O3—C16 | 1.365 (5) | C12—H12A | 0.9300 |
| O3—H3C | 0.838 (19) | C13—C14 | 1.421 (4) |
| Cl3—Cd1i | 2.6476 (9) | C15—H15A | 0.9600 |
| C1—C2 | 1.499 (5) | C15—H15B | 0.9600 |
| C1—H1A | 0.9600 | C15—H15C | 0.9600 |
| C1—H1B | 0.9600 | C16—H16A | 0.9600 |
| C1—H1C | 0.9600 | C16—H16B | 0.9600 |
| C2—C3 | 1.385 (5) | C16—H16C | 0.9600 |
| | | |
| O1—Cd1—Cl1 | 155.83 (6) | C3—C2—C1 | 122.3 (3) |
| O1—Cd1—O2 | 66.56 (7) | C7—C2—C1 | 120.7 (3) |
| Cl1—Cd1—O2 | 89.30 (5) | C4—C3—C2 | 122.4 (3) |
| O1—Cd1—Cl3 | 88.51 (6) | C4—C3—H3A | 118.8 |
| Cl1—Cd1—Cl3 | 115.66 (3) | C2—C3—H3A | 118.8 |
| O2—Cd1—Cl3 | 154.74 (5) | C3—C4—C5 | 119.3 (3) |
| O1—Cd1—Cl2 | 95.48 (6) | C3—C4—H4A | 120.3 |
| Cl1—Cd1—Cl2 | 84.21 (3) | C5—C4—H4A | 120.3 |
| O2—Cd1—Cl2 | 87.50 (6) | C6—C5—C4 | 119.7 (3) |
| Cl3—Cd1—Cl2 | 91.09 (3) | C6—C5—N1 | 117.7 (3) |
| O1—Cd1—Cl3i | 92.56 (6) | C4—C5—N1 | 122.6 (3) |
| Cl1—Cd1—Cl3i | 89.92 (3) | C7—C6—C5 | 119.8 (3) |
| O2—Cd1—Cl3i | 99.00 (6) | C7—C6—H6A | 120.1 |
| Cl3—Cd1—Cl3i | 85.55 (3) | C5—C6—H6A | 120.1 |
| Cl2—Cd1—Cl3i | 171.21 (3) | C6—C7—C2 | 121.7 (3) |
| O3ii—Cd2—O3 | 180.00 (12) | C6—C7—H7A | 119.2 |
| O3ii—Cd2—Cl2 | 91.64 (7) | C2—C7—H7A | 119.2 |
| O3—Cd2—Cl2 | 88.36 (7) | N1—C8—C9 | 123.6 (3) |
| O3ii—Cd2—Cl2ii | 88.36 (7) | N1—C8—H8A | 118.2 |
| O3—Cd2—Cl2ii | 91.64 (7) | C9—C8—H8A | 118.2 |
| Cl2—Cd2—Cl2ii | 180.000 (1) | C8—C9—C10 | 119.0 (3) |
| O3ii—Cd2—Cl1 | 90.88 (9) | C8—C9—C14 | 120.7 (3) |
| O3—Cd2—Cl1 | 89.12 (9) | C10—C9—C14 | 120.4 (3) |
| Cl2—Cd2—Cl1 | 83.37 (3) | C11—C10—C9 | 120.0 (3) |
| Cl2ii—Cd2—Cl1 | 96.63 (3) | C11—C10—H10A | 120.0 |
| O3ii—Cd2—Cl1ii | 89.12 (9) | C9—C10—H10A | 120.0 |
| O3—Cd2—Cl1ii | 90.88 (9) | C10—C11—C12 | 120.9 (3) |
| Cl2—Cd2—Cl1ii | 96.63 (3) | C10—C11—H11A | 119.5 |
| Cl2ii—Cd2—Cl1ii | 83.37 (3) | C12—C11—H11A | 119.5 |
| Cl1—Cd2—Cl1ii | 180.000 (1) | C13—C12—C11 | 120.3 (3) |
| C8—N1—C5 | 127.9 (3) | C13—C12—H12A | 119.9 |
| C8—N1—H1D | 116.1 | C11—C12—H12A | 119.9 |
| C5—N1—H1D | 116.1 | C12—C13—O2 | 125.7 (3) |
| C14—O1—Cd1 | 125.63 (19) | C12—C13—C14 | 120.9 (3) |
| C13—O2—C15 | 117.3 (3) | O2—C13—C14 | 113.4 (3) |
| C13—O2—Cd1 | 112.48 (19) | O1—C14—C9 | 121.0 (3) |
| C15—O2—Cd1 | 128.1 (2) | O1—C14—C13 | 121.5 (3) |
| C16—O3—Cd2 | 126.9 (3) | C9—C14—C13 | 117.5 (3) |
| C16—O3—H3C | 112 (4) | O2—C15—H15A | 109.5 |
| Cd2—O3—H3C | 116 (4) | O2—C15—H15B | 109.5 |
| Cd1—Cl1—Cd2 | 92.48 (3) | H15A—C15—H15B | 109.5 |
| Cd2—Cl2—Cd1 | 90.25 (3) | O2—C15—H15C | 109.5 |
| Cd1—Cl3—Cd1i | 94.33 (3) | H15A—C15—H15C | 109.5 |
| C2—C1—H1A | 109.5 | H15B—C15—H15C | 109.5 |
| C2—C1—H1B | 109.5 | O3—C16—H16A | 109.5 |
| H1A—C1—H1B | 109.5 | O3—C16—H16B | 109.5 |
| C2—C1—H1C | 109.5 | H16A—C16—H16B | 109.5 |
| H1A—C1—H1C | 109.5 | O3—C16—H16C | 109.5 |
| H1B—C1—H1C | 109.5 | H16A—C16—H16C | 109.5 |
| C3—C2—C7 | 117.0 (3) | H16B—C16—H16C | 109.5 |
| | | |
| Cl1—Cd1—O1—C14 | 9.2 (3) | Cl2—Cd1—Cl3—Cd1i | 168.17 (2) |
| O2—Cd1—O1—C14 | 6.0 (2) | Cl3i—Cd1—Cl3—Cd1i | −3.70 (4) |
| Cl3—Cd1—O1—C14 | −169.9 (2) | C7—C2—C3—C4 | 1.6 (6) |
| Cl2—Cd1—O1—C14 | −78.9 (2) | C1—C2—C3—C4 | −177.5 (4) |
| Cl3i—Cd1—O1—C14 | 104.7 (2) | C2—C3—C4—C5 | 0.3 (6) |
| O1—Cd1—O2—C13 | −5.0 (2) | C3—C4—C5—C6 | −2.7 (5) |
| Cl1—Cd1—O2—C13 | 176.3 (2) | C3—C4—C5—N1 | 178.1 (3) |
| Cl3—Cd1—O2—C13 | 4.8 (3) | C8—N1—C5—C6 | 168.6 (3) |
| Cl2—Cd1—O2—C13 | 92.1 (2) | C8—N1—C5—C4 | −12.3 (5) |
| Cl3i—Cd1—O2—C13 | −93.9 (2) | C4—C5—C6—C7 | 3.3 (5) |
| O1—Cd1—O2—C15 | −167.6 (3) | N1—C5—C6—C7 | −177.6 (3) |
| Cl1—Cd1—O2—C15 | 13.8 (3) | C5—C6—C7—C2 | −1.4 (5) |
| Cl3—Cd1—O2—C15 | −157.7 (3) | C3—C2—C7—C6 | −1.0 (5) |
| Cl2—Cd1—O2—C15 | −70.5 (3) | C1—C2—C7—C6 | 178.1 (4) |
| Cl3i—Cd1—O2—C15 | 103.6 (3) | C5—N1—C8—C9 | 178.9 (3) |
| Cl2—Cd2—O3—C16 | −174.9 (4) | N1—C8—C9—C10 | −178.8 (3) |
| Cl2ii—Cd2—O3—C16 | 5.1 (4) | N1—C8—C9—C14 | 0.3 (5) |
| Cl1—Cd2—O3—C16 | −91.5 (4) | C8—C9—C10—C11 | 177.7 (3) |
| Cl1ii—Cd2—O3—C16 | 88.5 (4) | C14—C9—C10—C11 | −1.4 (5) |
| O1—Cd1—Cl1—Cd2 | −113.74 (16) | C9—C10—C11—C12 | 1.6 (6) |
| O2—Cd1—Cl1—Cd2 | −110.81 (6) | C10—C11—C12—C13 | −0.4 (6) |
| Cl3—Cd1—Cl1—Cd2 | 65.17 (4) | C11—C12—C13—O2 | 179.8 (3) |
| Cl2—Cd1—Cl1—Cd2 | −23.25 (3) | C11—C12—C13—C14 | −0.9 (5) |
| Cl3i—Cd1—Cl1—Cd2 | 150.19 (3) | C15—O2—C13—C12 | −12.1 (5) |
| O3ii—Cd2—Cl1—Cd1 | 115.31 (7) | Cd1—O2—C13—C12 | −176.7 (3) |
| O3—Cd2—Cl1—Cd1 | −64.69 (7) | C15—O2—C13—C14 | 168.6 (3) |
| Cl2—Cd2—Cl1—Cd1 | 23.75 (3) | Cd1—O2—C13—C14 | 4.0 (3) |
| Cl2ii—Cd2—Cl1—Cd1 | −156.25 (3) | Cd1—O1—C14—C9 | 173.8 (2) |
| O3ii—Cd2—Cl2—Cd1 | −113.28 (9) | Cd1—O1—C14—C13 | −6.4 (4) |
| O3—Cd2—Cl2—Cd1 | 66.72 (9) | C8—C9—C14—O1 | 0.8 (5) |
| Cl1—Cd2—Cl2—Cd1 | −22.59 (3) | C10—C9—C14—O1 | 179.9 (3) |
| Cl1ii—Cd2—Cl2—Cd1 | 157.41 (3) | C8—C9—C14—C13 | −178.9 (3) |
| O1—Cd1—Cl2—Cd2 | 179.14 (6) | C10—C9—C14—C13 | 0.1 (5) |
| Cl1—Cd1—Cl2—Cd2 | 23.43 (3) | C12—C13—C14—O1 | −178.8 (3) |
| O2—Cd1—Cl2—Cd2 | 112.98 (5) | O2—C13—C14—O1 | 0.6 (4) |
| O1—Cd1—Cl3—Cd1i | −96.38 (6) | C12—C13—C14—C9 | 1.0 (5) |
| Cl1—Cd1—Cl3—Cd1i | 84.07 (3) | O2—C13—C14—C9 | −179.6 (3) |
| O2—Cd1—Cl3—Cd1i | −105.40 (14) | | |
| Symmetry codes: (i) −x+1, y, −z−1/2; (ii) −x+1, −y+3, −z. |
Hydrogen-bond geometry (Å, °) top
| D—H···A | D—H | H···A | D···A | D—H···A |
| N1—H1D···O1 | 0.86 | 1.88 | 2.574 (3) | 137 |
| O3—H3C···Cl3 | 0.84 (2) | 2.38 (2) | 3.213 (3) | 170 (5) |
Table 1
Hydrogen-bond geometry (Å, °) top
| D—H···A | D—H | H···A | D···A | D—H···A |
| N1—H1D···O1 | 0.86 | 1.88 | 2.574 (3) | 137 |
| O3—H3C···Cl3 | 0.84 (2) | 2.38 (2) | 3.213 (3) | 170 (5) |
Bruker (2004). SAINT and SMART. Bruker AXS Inc., Madison, Wisconsin, USA. If diffractometer is APEXII software should be APEX2instead of SMART, in which case please provide appropriate reference. Or was a different diffractometer used with SMARTsoftware?
De Girolamo, J., Reiss, P. & Pron, A. (2007). J. Phys. Chem. C, 111, 14681–14688.
Henkel, G. & Krebs, B. (2004). Chem. Rev. 104, 801–824.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.
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Wang, X. L., Qin, C., Wang, E. B. & Xu, L. (2005). J. Mol. Struct. 749, 45–50.
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![[Figure 1]](./at2645fig1thm.gif)
There has been an increasing interest in the coordination chemistry of cadmium in recent years due to the increased recognition of its role in biological organisms (Henkel & Krebs, 2004), as well as in molecular-based materials (De Girolamo et al., 2007). In the quest for molecular-based materials with interesting properties, much attention has been given to one-, two- and three-dimensional extended solids which involve cadmium (Suen & Wang, 2007; Wang et al., 2005; Zhang & Bu, 2008). Complexes of the type CdX2 (X = CI or Br) with organic bases typically form one- or two-dimensional halogen-bridged chain compounds with six-coordination octahedral cadmium(II). Here, we describe the synthesis and crystal structure of the cadmium(II) chloride complex with 2-[(4-methylphenylimino)methyl]-6-methoxyphenol.
The crystal structure of the title compound (I) has features of the monoclinic space group C2/c. As illustrated in Fig. 1, the structure comprises an alternating polymeric chain layer along the c axis. The CdII ions are linked into an infinite chain by double chlorine bridges, The Cd(1)···Cd(2) and Cd(1)···Cd(1A) distances in the molecule are 3.7087 (3) and 3.8756 (4) Å, respectively.