trans-Bis[1,3-bis­(2-methoxy­phen­yl)triazenido]dimethano­lcadmium(II)

Rofouei, M.K.; Melardi, M.R.; Khalili Ghaydari, H.R.; Barkhi, M.

doi:10.1107/S160053680900676X

Volume 65
Part 3
Page m351
March 2009

Received 27 January 2009
Accepted 24 February 2009
Online 28 February 2009

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.007 Å
Disorder in main residue
R = 0.055
wR = 0.132
Data-to-parameter ratio = 23.0
Details

trans-Bis[1,3-bis(2-methoxyphenyl)triazenido]dimethanolcadmium(II)

Mohammad Kazem Rofouei,^a ^* Mohammad Reza Melardi,^b Hamid Reza Khalili Ghaydari ^b and Mohammad Barkhi ^b

^aFaculty of Chemistry, Tarbiat Moallem University, Tehran, Iran, and ^bDepartment of Chemistry, Islamic Azad University, Karaj Branch, Karaj, Iran
Correspondence e-mail: rofouei_mk@yahoo.com

In the title compound, [Cd(C₁₄H₁₄N₃O₂)₂(CH₃OH)₂], each cadmium(II) center is six-coordinated by an N atom and an O atom of two 1,3-bis(2-methoxyphenyl)triazene ligands and by the O atoms of two methanol molecules. The distorted octahedral coordination geometry of the Cd atom has two N and two O atoms in the equatorial plane, and two O atoms in axial positions. The complex is stabilized by intramolecular O-HO and O-HN hydrogen bonds. In the crystal structure the complexes are linked into chains via intermolecular C-H [pi] stacking interactions. One of the methanol C atoms is disordered with ouccupancies of 0.7:0.3.

Related literature

For complexes of the title ligand, see: Payehghadr et al. (2006); Rofouei, Shamsipur et al. (2006); Rofouei, Melardi et al. (2008); Rofouei & Hashempur (2008).

Experimental

Crystal data

[Cd(C₁₄H₁₄N₃O₂)₂(CH₄O)₂]
M_r = 689.05
Orthorhombic, P 2₁ 2₁ 2₁
a = 11.0333 (10) Å
b = 13.1892 (12) Å
c = 21.4784 (17) Å
V = 3125.5 (5) Å³
Z = 4
Mo K radiation
= 0.75 mm^-1
T = 100 K
0.50 × 0.40 × 0.30 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.693, T_max = 0.806
40482 measured reflections
9074 independent reflections
8503 reflections with I > 2(I)
R_int = 0.041

Refinement

R[F² > 2(F²)] = 0.055
wR(F²) = 0.132
S = 1.07
9074 reflections
394 parameters
2 restraints
H-atom parameters constrained
_max = 2.65 e Å^-3
_min = -2.09 e Å^-3
Absolute structure: Flack (1983), 4009 Friedel pairs
Flack parameter: 0.04 (3)

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O5-H5ON3	0.91	1.88	2.710 (6)	150
O6-H6OO4	0.86	1.92	2.739 (5)	157
C23-H23ACg1ⁱ	0.95	2.82	3.655 (6)	147
Symmetry code: (i) x+1, y, z. Cg1 is the centroid of the C1-C6 ring.

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); 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.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SU2094 ).

References

Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
Payehghadr, M., Rofouei, M. K., Morsali, A. & Shamsipur, M. (2006). Inorg. Chim. Acta, 360, 1792-1798.
Rofouei, M. K. & Hashempur, T. (2008). Anal. Sci. 24, x229-x230.
Rofouei, M. K., Melardi, M. R., Barkhi, M. & Khalili Ghaydar, H. R. (2008). Anal. Sci. 24, x81-x82.
Rofouei, M. K., Shamsipur, M. & Payehghadr, M. (2006). Anal. Sci. 22, x79-x80.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds