metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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ISSN: 2056-9890

Di­chloridobis{2-[(tri­phenyl­meth­yl)amino]pyridine-κN}cadmium(II)

aInstitute of Chemistry for Functionalized Materials, College of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029, People's Republic of China
*Correspondence e-mail: zgn25721086@163.com

(Received 7 January 2008; accepted 10 January 2008; online 16 January 2008)

In the mol­ecule of the title compound, [CdCl2(C24H20N2)2], the CdII centre has a distorted tetra­hedral coordination geometry defined by two chloride ions and two pyridine N atoms of the monodentate 2-[(triphenyl­meth­yl)amino]pyridine ligands. Weak intra­molecular N—H⋯Cl hydrogen bonds help to establish the three-dimensional architecture.

Related literature

For related literature, see: Fang et al. (2006[Fang, Y., Huang, C.-Y., Zhu, Z.-M., Yu, X.-L. & You, W.-S. (2006). Acta Cryst. E62, m3347-m3348.]); Zhang et al. (2007[Zhang, G.-N., Fang, Y., Huang, C.-Y. & You, W.-S. (2007). Acta Cryst. E63, m2247.]).

[Scheme 1]

Experimental

Crystal data
  • [CdCl2(C24H20N2)2]

  • Mr = 856.15

  • Monoclinic, P 21 /n

  • a = 10.0531 (11) Å

  • b = 22.903 (2) Å

  • c = 17.5659 (18) Å

  • β = 98.693 (2)°

  • V = 3998.0 (7) Å3

  • Z = 4

  • Mo Kα radiation

  • μ = 0.72 mm−1

  • T = 295 (2) K

  • 0.09 × 0.06 × 0.05 mm

Data collection
  • Bruker SMART APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2003[Sheldrick, G. M. (2003). SADABS. University of Göttingen, Germany.]) Tmin = 0.937, Tmax = 0.968

  • 25067 measured reflections

  • 9118 independent reflections

  • 5827 reflections with I > 2σ(I)

  • Rint = 0.044

Refinement
  • R[F2 > 2σ(F2)] = 0.039

  • wR(F2) = 0.091

  • S = 0.97

  • 9118 reflections

  • 496 parameters

  • H-atom parameters constrained

  • Δρmax = 0.39 e Å−3

  • Δρmin = −0.34 e Å−3

Table 1
Selected geometric parameters (Å, °)

Cd1—N1 2.284 (2)
Cd1—N3 2.286 (2)
Cd1—Cl2 2.3850 (9)
Cd1—Cl1 2.3878 (8)
N1—Cd1—N3 95.24 (8)
N1—Cd1—Cl2 109.63 (6)
N3—Cd1—Cl2 108.33 (6)
N1—Cd1—Cl1 110.82 (6)
N3—Cd1—Cl1 108.47 (6)
Cl2—Cd1—Cl1 121.18 (3)

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
N2—H2A⋯Cl2 0.86 2.79 3.630 (2) 165
N4—H4A⋯Cl1 0.86 2.87 3.693 (2) 160

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2 and SAINT. Bruker AXS inc., Madison, Wisconsin, USA.]); cell refinement: APEX2; data reduction: SAINT (Bruker, 2005[Bruker (2005). APEX2 and SAINT. Bruker AXS inc., Madison, Wisconsin, USA.]); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supporting information


Comment top

As part of our ongoing studies on different metal complexes with 2-[N-(tri- phenylmethyl)imino] pyridine ligand, we synthesized the title compound, (I), and report herein its crystal structure. It is isomorphic with [CoCl2(C24H20N2)2] (Fang et al., 2006) and [ZnCl2(C24H20N2)2] (Zhang et al., 2007) and exhibits approximate C2 local point symmetry.

In the molecule of the title compound, (I), (Fig. 1) C d atom adopts a distorted tetrahedral coordination geometry with two chloride ions and two N atoms of the pyridine rings of the monodentate 2-[N-(triphenylmethyl)imino]pyridine ligands (Table 1). Because of the large volume of the 2-[N-(triphenylmethyl)imino]- pyridine ligand, the formation of a four-coordinate complex is more possible rather than six-coordinate one. Weak intramolecular N—H···Cl hydrogen bonds (Table 2) help to establish the three-dimensional architecture.

As shown in Fig. 2, the complex molecules stack in the A—B—A—B sequence along the b axis.

Related literature top

For related literature, see: Fang et al. (2006); Zhang et al. (2007).

Experimental top

For the preparation of the title compound, (I), 2-[N-(triphenylmethyl)imino]- pyridine ligand (30 mg, 0.09 mmol) and CdCl2 (25 mg, 0.14 mmol) were dissolved in 5 ml and 10 ml of ethanol, respectively, and then mixed. The mixed solution was stirred about 30 min and covered with hexane (10 ml). After two months, colorless crystals of (I) were obtained.

Refinement top

H atoms were positioned geometrically, with N—H = 0.86 Å (for NH) and C—H = 0.93 Å for aromatic H, and constrained to ride on their parent atoms, with Uiso(H) = 1.2Ueq(C,N).

Computing details top

Data collection: APEX2 (Bruker, 2005); cell refinement: APEX2 (Bruker, 2005); data reduction: SAINT (Bruker, 2005); 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).

Figures top
[Figure 1] Fig. 1. The molecular structure of the title molecule, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 15% probability level. Hydrogen atoms have been omitted for clarity.
[Figure 2] Fig. 2. A packing diagram of (I). Hydrogen atoms have been omitted for clarity.
Dichloridobis{2-[(triphenylmethyl)amino]pyridine-κN}cadmium(II) top
Crystal data top
[CdCl2(C24H20N2)2]F(000) = 1752
Mr = 856.15Dx = 1.422 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 4517 reflections
a = 10.0531 (11) Åθ = 2.2–24.1°
b = 22.903 (2) ŵ = 0.72 mm1
c = 17.5659 (18) ÅT = 295 K
β = 98.693 (2)°Plate, colorless
V = 3998.0 (7) Å30.09 × 0.06 × 0.05 mm
Z = 4
Data collection top
Bruker SMART APEXII CCD
diffractometer
9118 independent reflections
Radiation source: fine-focus sealed tube5827 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.044
CCD scansθmax = 27.5°, θmin = 2.1°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2003)
h = 1312
Tmin = 0.937, Tmax = 0.968k = 2928
25067 measured reflectionsl = 1722
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.039Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.091H-atom parameters constrained
S = 0.97 w = 1/[σ2(Fo2) + (0.0399P)2]
where P = (Fo2 + 2Fc2)/3
9118 reflections(Δ/σ)max = 0.001
496 parametersΔρmax = 0.39 e Å3
0 restraintsΔρmin = 0.34 e Å3
Crystal data top
[CdCl2(C24H20N2)2]V = 3998.0 (7) Å3
Mr = 856.15Z = 4
Monoclinic, P21/nMo Kα radiation
a = 10.0531 (11) ŵ = 0.72 mm1
b = 22.903 (2) ÅT = 295 K
c = 17.5659 (18) Å0.09 × 0.06 × 0.05 mm
β = 98.693 (2)°
Data collection top
Bruker SMART APEXII CCD
diffractometer
9118 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 2003)
5827 reflections with I > 2σ(I)
Tmin = 0.937, Tmax = 0.968Rint = 0.044
25067 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0390 restraints
wR(F2) = 0.091H-atom parameters constrained
S = 0.97Δρmax = 0.39 e Å3
9118 reflectionsΔρmin = 0.34 e Å3
496 parameters
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 F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > σ(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ 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
xyzUiso*/Ueq
Cd10.22022 (2)0.180326 (9)0.164854 (12)0.04388 (8)
Cl10.18946 (8)0.08877 (3)0.09955 (5)0.0580 (2)
Cl20.40291 (10)0.24316 (4)0.14838 (6)0.0852 (3)
N10.0244 (2)0.23247 (10)0.14942 (13)0.0404 (5)
N20.1196 (2)0.31010 (9)0.22081 (12)0.0375 (5)
H2A0.19460.29510.21270.045*
N30.2253 (2)0.16432 (9)0.29372 (13)0.0374 (5)
N40.0345 (2)0.10679 (10)0.27581 (12)0.0404 (6)
H4A0.04860.10460.22880.048*
C10.0853 (3)0.20510 (13)0.11086 (17)0.0513 (8)
H1A0.07180.17130.08370.062*
C20.2141 (3)0.22420 (14)0.10963 (18)0.0555 (8)
H2B0.28650.20390.08280.067*
C30.2336 (3)0.27467 (14)0.14947 (17)0.0487 (8)
H3A0.32030.28860.15030.058*
C40.1251 (3)0.30426 (12)0.18791 (16)0.0418 (7)
H4B0.13790.33840.21450.050*
C50.0060 (3)0.28270 (12)0.18684 (15)0.0374 (6)
C60.1295 (3)0.36288 (11)0.27025 (15)0.0346 (6)
C70.0422 (3)0.35458 (12)0.33435 (15)0.0362 (6)
C80.0536 (3)0.30209 (12)0.37457 (16)0.0437 (7)
H8A0.10320.27180.35760.052*
C90.0070 (3)0.29417 (14)0.43891 (17)0.0515 (8)
H9A0.00160.25860.46480.062*
C100.0801 (3)0.33843 (14)0.46514 (18)0.0534 (8)
H10A0.11910.33350.50950.064*
C110.0951 (3)0.39013 (14)0.42521 (18)0.0508 (8)
H11A0.14560.42010.44220.061*
C120.0354 (3)0.39804 (13)0.35958 (17)0.0436 (7)
H12A0.04790.43300.33240.052*
C130.2786 (3)0.36728 (11)0.30850 (16)0.0375 (6)
C140.3146 (3)0.37696 (15)0.38628 (18)0.0620 (9)
H14A0.24820.37980.41770.074*
C150.4485 (4)0.38248 (18)0.4181 (2)0.0788 (12)
H15A0.47160.39020.47040.095*
C160.5476 (4)0.37651 (17)0.3726 (3)0.0777 (12)
H16A0.63770.37800.39450.093*
C170.5135 (3)0.36846 (15)0.2952 (2)0.0710 (10)
H17A0.58010.36600.26390.085*
C180.3793 (3)0.36399 (12)0.26346 (18)0.0502 (8)
H18A0.35660.35870.21060.060*
C190.0974 (3)0.41857 (11)0.22183 (16)0.0372 (6)
C200.0453 (3)0.41674 (14)0.14404 (17)0.0494 (8)
H20A0.02740.38100.11960.059*
C210.0197 (3)0.46849 (16)0.1023 (2)0.0632 (9)
H21A0.01600.46690.05040.076*
C220.0467 (3)0.52172 (15)0.1373 (2)0.0648 (10)
H22A0.02850.55600.10940.078*
C230.1006 (3)0.52379 (14)0.2135 (2)0.0586 (9)
H23A0.12030.55970.23730.070*
C240.1262 (3)0.47306 (12)0.25542 (18)0.0483 (7)
H24A0.16330.47530.30710.058*
C250.3258 (3)0.19135 (13)0.34048 (17)0.0471 (7)
H25A0.39260.20990.31820.057*
C260.3341 (3)0.19281 (14)0.41855 (18)0.0561 (9)
H26A0.40310.21290.44890.067*
C270.2372 (3)0.16361 (13)0.45119 (17)0.0510 (8)
H27A0.24110.16330.50440.061*
C280.1352 (3)0.13498 (12)0.40572 (15)0.0438 (7)
H28A0.06930.11550.42770.053*
C290.1310 (3)0.13526 (11)0.32565 (15)0.0366 (6)
C300.0912 (3)0.07931 (11)0.29282 (15)0.0373 (6)
C310.1649 (3)0.12273 (12)0.33877 (16)0.0401 (7)
C320.1876 (3)0.17884 (13)0.31017 (18)0.0509 (8)
H32A0.15550.18940.26510.061*
C330.2564 (3)0.21912 (15)0.3470 (2)0.0601 (9)
H33A0.27280.25610.32570.072*
C340.3012 (3)0.20559 (16)0.4144 (2)0.0626 (9)
H34A0.34750.23300.43930.075*
C350.2765 (3)0.15041 (16)0.4449 (2)0.0638 (9)
H35A0.30510.14090.49130.077*
C360.2098 (3)0.10921 (14)0.40748 (17)0.0509 (8)
H36A0.19480.07210.42850.061*
C370.0639 (3)0.02013 (12)0.33347 (15)0.0394 (7)
C380.0644 (3)0.00021 (13)0.36006 (16)0.0464 (7)
H38A0.13860.02210.35250.056*
C390.0838 (3)0.05327 (14)0.39767 (18)0.0544 (8)
H39A0.17070.06600.41580.065*
C400.0238 (3)0.08734 (14)0.40857 (18)0.0567 (8)
H40A0.01030.12290.43420.068*
C410.1525 (3)0.06832 (13)0.38105 (18)0.0553 (8)
H41A0.22610.09130.38780.066*
C420.1721 (3)0.01555 (13)0.34372 (17)0.0499 (8)
H42A0.25920.00340.32500.060*
C430.3090 (3)0.08348 (14)0.19416 (18)0.0548 (8)
H43A0.35180.10240.23060.066*
C440.3791 (4)0.07201 (15)0.1217 (2)0.0672 (10)
H44A0.46890.08310.11010.081*
C450.3187 (4)0.04481 (16)0.0669 (2)0.0684 (10)
H45A0.36560.03850.01780.082*
C460.1881 (4)0.02697 (15)0.08543 (19)0.0633 (9)
H46A0.14650.00790.04870.076*
C470.1165 (3)0.03688 (13)0.15848 (17)0.0503 (8)
H47A0.02880.02320.17080.060*
C480.1759 (3)0.06707 (12)0.21270 (16)0.0406 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.04738 (13)0.04593 (14)0.04041 (13)0.00364 (11)0.01342 (9)0.00233 (11)
Cl10.0686 (5)0.0518 (5)0.0532 (5)0.0031 (4)0.0082 (4)0.0104 (4)
Cl20.0828 (6)0.0833 (7)0.1021 (8)0.0386 (5)0.0545 (6)0.0328 (6)
N10.0427 (13)0.0382 (13)0.0391 (14)0.0040 (11)0.0021 (11)0.0003 (11)
N20.0322 (12)0.0398 (14)0.0402 (13)0.0004 (10)0.0042 (10)0.0039 (10)
N30.0342 (12)0.0421 (14)0.0364 (13)0.0047 (10)0.0074 (10)0.0018 (10)
N40.0428 (13)0.0482 (14)0.0310 (12)0.0120 (11)0.0083 (10)0.0013 (11)
C10.066 (2)0.0422 (18)0.0412 (18)0.0066 (16)0.0055 (16)0.0015 (14)
C20.052 (2)0.054 (2)0.053 (2)0.0128 (16)0.0146 (16)0.0082 (17)
C30.0381 (16)0.0521 (19)0.053 (2)0.0042 (14)0.0030 (14)0.0146 (16)
C40.0410 (16)0.0400 (17)0.0432 (17)0.0009 (13)0.0029 (13)0.0067 (13)
C50.0421 (16)0.0394 (16)0.0294 (15)0.0034 (13)0.0017 (12)0.0077 (12)
C60.0366 (15)0.0316 (15)0.0353 (15)0.0005 (12)0.0042 (12)0.0012 (12)
C70.0311 (14)0.0409 (16)0.0360 (15)0.0023 (12)0.0024 (12)0.0010 (13)
C80.0453 (17)0.0425 (17)0.0435 (17)0.0022 (13)0.0076 (14)0.0045 (14)
C90.0534 (19)0.0553 (19)0.0466 (19)0.0037 (16)0.0107 (15)0.0143 (16)
C100.0490 (18)0.070 (2)0.0438 (18)0.0096 (16)0.0156 (15)0.0051 (16)
C110.0405 (17)0.056 (2)0.057 (2)0.0034 (15)0.0136 (15)0.0109 (16)
C120.0410 (16)0.0413 (17)0.0487 (18)0.0003 (13)0.0072 (14)0.0010 (14)
C130.0383 (15)0.0322 (15)0.0406 (16)0.0031 (12)0.0010 (13)0.0024 (12)
C140.053 (2)0.086 (3)0.0459 (19)0.0131 (18)0.0017 (16)0.0019 (18)
C150.064 (2)0.110 (3)0.055 (2)0.021 (2)0.015 (2)0.007 (2)
C160.042 (2)0.087 (3)0.096 (3)0.0079 (19)0.016 (2)0.003 (2)
C170.0358 (18)0.080 (3)0.097 (3)0.0067 (17)0.0103 (19)0.012 (2)
C180.0435 (18)0.0524 (19)0.0548 (19)0.0044 (15)0.0076 (15)0.0047 (16)
C190.0323 (14)0.0380 (16)0.0419 (17)0.0010 (12)0.0079 (12)0.0048 (13)
C200.0518 (18)0.0496 (19)0.0471 (19)0.0056 (15)0.0078 (15)0.0102 (15)
C210.062 (2)0.070 (2)0.056 (2)0.0057 (18)0.0035 (17)0.0261 (19)
C220.058 (2)0.052 (2)0.086 (3)0.0032 (17)0.014 (2)0.033 (2)
C230.057 (2)0.0400 (19)0.081 (3)0.0011 (16)0.0193 (19)0.0103 (18)
C240.0506 (18)0.0416 (18)0.0534 (19)0.0031 (14)0.0105 (15)0.0026 (15)
C250.0405 (16)0.0527 (19)0.0488 (19)0.0079 (14)0.0089 (14)0.0052 (15)
C260.0429 (18)0.071 (2)0.053 (2)0.0138 (16)0.0001 (15)0.0120 (17)
C270.0560 (19)0.064 (2)0.0327 (16)0.0026 (16)0.0037 (14)0.0055 (15)
C280.0444 (17)0.0520 (19)0.0360 (16)0.0060 (14)0.0097 (13)0.0025 (14)
C290.0370 (15)0.0368 (16)0.0359 (15)0.0006 (12)0.0051 (12)0.0001 (12)
C300.0362 (15)0.0381 (16)0.0366 (15)0.0066 (12)0.0029 (12)0.0065 (12)
C310.0340 (14)0.0447 (17)0.0403 (16)0.0022 (13)0.0011 (12)0.0033 (14)
C320.0570 (19)0.0457 (18)0.0514 (19)0.0002 (16)0.0131 (15)0.0049 (16)
C330.061 (2)0.046 (2)0.075 (3)0.0007 (16)0.0131 (19)0.0080 (18)
C340.0482 (19)0.063 (2)0.079 (3)0.0064 (17)0.0169 (18)0.011 (2)
C350.060 (2)0.074 (2)0.061 (2)0.0042 (19)0.0224 (18)0.004 (2)
C360.0540 (19)0.0533 (19)0.0464 (19)0.0001 (15)0.0105 (15)0.0100 (15)
C370.0392 (16)0.0435 (17)0.0358 (16)0.0040 (13)0.0066 (13)0.0057 (13)
C380.0460 (17)0.0473 (18)0.0464 (18)0.0023 (14)0.0093 (14)0.0058 (15)
C390.0493 (19)0.058 (2)0.056 (2)0.0101 (16)0.0072 (16)0.0093 (17)
C400.071 (2)0.050 (2)0.0499 (19)0.0051 (17)0.0105 (17)0.0150 (16)
C410.057 (2)0.0486 (19)0.062 (2)0.0084 (16)0.0130 (17)0.0115 (16)
C420.0440 (17)0.0479 (19)0.058 (2)0.0013 (14)0.0073 (15)0.0114 (15)
C430.0496 (19)0.061 (2)0.051 (2)0.0043 (16)0.0013 (16)0.0037 (17)
C440.057 (2)0.070 (2)0.067 (2)0.0059 (18)0.016 (2)0.010 (2)
C450.081 (3)0.068 (2)0.049 (2)0.017 (2)0.015 (2)0.0100 (19)
C460.078 (3)0.060 (2)0.051 (2)0.0174 (19)0.0069 (19)0.0066 (17)
C470.0505 (18)0.0513 (19)0.0468 (19)0.0102 (15)0.0005 (15)0.0016 (15)
C480.0429 (17)0.0388 (16)0.0381 (16)0.0099 (13)0.0001 (13)0.0081 (13)
Geometric parameters (Å, º) top
Cd1—N12.284 (2)C21—C221.374 (5)
Cd1—N32.286 (2)C21—H21A0.9300
Cd1—Cl22.3850 (9)C22—C231.366 (5)
Cd1—Cl12.3878 (8)C22—H22A0.9300
N1—C51.351 (3)C23—C241.379 (4)
N1—C11.357 (3)C23—H23A0.9300
N2—C51.360 (3)C24—H24A0.9300
N2—C61.483 (3)C25—C261.362 (4)
N2—H2A0.8600C25—H25A0.9300
N3—C291.348 (3)C26—C271.376 (4)
N3—C251.352 (3)C26—H26A0.9300
N4—C291.370 (3)C27—C281.368 (4)
N4—C301.482 (3)C27—H27A0.9300
N4—H4A0.8600C28—C291.401 (4)
C1—C21.364 (4)C28—H28A0.9300
C1—H1A0.9300C30—C371.537 (4)
C2—C31.381 (4)C30—C311.539 (4)
C2—H2B0.9300C30—C481.556 (4)
C3—C41.372 (4)C31—C361.386 (4)
C3—H3A0.9300C31—C321.386 (4)
C4—C51.410 (4)C32—C331.372 (4)
C4—H4B0.9300C32—H32A0.9300
C6—C191.540 (3)C33—C341.365 (4)
C6—C71.540 (3)C33—H33A0.9300
C6—C131.551 (4)C34—C351.381 (5)
C7—C121.379 (4)C34—H34A0.9300
C7—C81.390 (4)C35—C361.381 (4)
C8—C91.375 (4)C35—H35A0.9300
C8—H8A0.9300C36—H36A0.9300
C9—C101.372 (4)C37—C381.385 (4)
C9—H9A0.9300C37—C421.394 (4)
C10—C111.373 (4)C38—C391.383 (4)
C10—H10A0.9300C38—H38A0.9300
C11—C121.390 (4)C39—C401.370 (4)
C11—H11A0.9300C39—H39A0.9300
C12—H12A0.9300C40—C411.381 (4)
C13—C141.377 (4)C40—H40A0.9300
C13—C181.378 (4)C41—C421.375 (4)
C14—C151.384 (4)C41—H41A0.9300
C14—H14A0.9300C42—H42A0.9300
C15—C161.375 (5)C43—C481.380 (4)
C15—H15A0.9300C43—C441.384 (4)
C16—C171.363 (5)C43—H43A0.9300
C16—H16A0.9300C44—C451.363 (5)
C17—C181.383 (4)C44—H44A0.9300
C17—H17A0.9300C45—C461.366 (5)
C18—H18A0.9300C45—H45A0.9300
C19—C201.388 (4)C46—C471.392 (4)
C19—C241.392 (4)C46—H46A0.9300
C20—C211.397 (4)C47—C481.383 (4)
C20—H20A0.9300C47—H47A0.9300
N1—Cd1—N395.24 (8)C23—C22—C21119.4 (3)
N1—Cd1—Cl2109.63 (6)C23—C22—H22A120.3
N3—Cd1—Cl2108.33 (6)C21—C22—H22A120.3
N1—Cd1—Cl1110.82 (6)C22—C23—C24120.5 (3)
N3—Cd1—Cl1108.47 (6)C22—C23—H23A119.7
Cl2—Cd1—Cl1121.18 (3)C24—C23—H23A119.7
C5—N1—C1118.4 (2)C23—C24—C19121.3 (3)
C5—N1—Cd1124.49 (17)C23—C24—H24A119.4
C1—N1—Cd1116.00 (19)C19—C24—H24A119.4
C5—N2—C6127.6 (2)N3—C25—C26123.4 (3)
C5—N2—H2A116.2N3—C25—H25A118.3
C6—N2—H2A116.2C26—C25—H25A118.3
C29—N3—C25118.8 (2)C25—C26—C27117.9 (3)
C29—N3—Cd1125.40 (17)C25—C26—H26A121.0
C25—N3—Cd1115.54 (18)C27—C26—H26A121.0
C29—N4—C30128.1 (2)C28—C27—C26120.3 (3)
C29—N4—H4A116.0C28—C27—H27A119.8
C30—N4—H4A116.0C26—C27—H27A119.8
N1—C1—C2123.9 (3)C27—C28—C29119.3 (3)
N1—C1—H1A118.1C27—C28—H28A120.3
C2—C1—H1A118.1C29—C28—H28A120.3
C1—C2—C3117.9 (3)N3—C29—N4116.4 (2)
C1—C2—H2B121.1N3—C29—C28120.3 (2)
C3—C2—H2B121.1N4—C29—C28123.4 (2)
C4—C3—C2120.0 (3)N4—C30—C37111.7 (2)
C4—C3—H3A120.0N4—C30—C31108.9 (2)
C2—C3—H3A120.0C37—C30—C31113.1 (2)
C3—C4—C5119.7 (3)N4—C30—C48105.1 (2)
C3—C4—H4B120.1C37—C30—C48107.2 (2)
C5—C4—H4B120.1C31—C30—C48110.5 (2)
N1—C5—N2116.0 (2)C36—C31—C32117.7 (3)
N1—C5—C4120.1 (2)C36—C31—C30123.9 (3)
N2—C5—C4123.9 (3)C32—C31—C30118.3 (3)
N2—C6—C19111.2 (2)C33—C32—C31121.3 (3)
N2—C6—C7109.4 (2)C33—C32—H32A119.4
C19—C6—C7114.3 (2)C31—C32—H32A119.4
N2—C6—C13106.3 (2)C34—C33—C32120.8 (3)
C19—C6—C13107.0 (2)C34—C33—H33A119.6
C7—C6—C13108.2 (2)C32—C33—H33A119.6
C12—C7—C8117.9 (3)C33—C34—C35118.8 (3)
C12—C7—C6123.9 (2)C33—C34—H34A120.6
C8—C7—C6117.8 (2)C35—C34—H34A120.6
C9—C8—C7121.3 (3)C34—C35—C36120.8 (3)
C9—C8—H8A119.4C34—C35—H35A119.6
C7—C8—H8A119.4C36—C35—H35A119.6
C10—C9—C8120.3 (3)C35—C36—C31120.5 (3)
C10—C9—H9A119.8C35—C36—H36A119.7
C8—C9—H9A119.8C31—C36—H36A119.7
C9—C10—C11119.3 (3)C38—C37—C42117.7 (3)
C9—C10—H10A120.4C38—C37—C30123.0 (2)
C11—C10—H10A120.4C42—C37—C30119.3 (2)
C10—C11—C12120.6 (3)C39—C38—C37120.9 (3)
C10—C11—H11A119.7C39—C38—H38A119.6
C12—C11—H11A119.7C37—C38—H38A119.6
C7—C12—C11120.6 (3)C40—C39—C38120.7 (3)
C7—C12—H12A119.7C40—C39—H39A119.7
C11—C12—H12A119.7C38—C39—H39A119.7
C14—C13—C18118.2 (3)C39—C40—C41119.2 (3)
C14—C13—C6122.1 (3)C39—C40—H40A120.4
C18—C13—C6119.6 (2)C41—C40—H40A120.4
C13—C14—C15120.6 (3)C42—C41—C40120.2 (3)
C13—C14—H14A119.7C42—C41—H41A119.9
C15—C14—H14A119.7C40—C41—H41A119.9
C16—C15—C14120.1 (3)C41—C42—C37121.2 (3)
C16—C15—H15A120.0C41—C42—H42A119.4
C14—C15—H15A120.0C37—C42—H42A119.4
C17—C16—C15119.9 (3)C48—C43—C44120.4 (3)
C17—C16—H16A120.0C48—C43—H43A119.8
C15—C16—H16A120.0C44—C43—H43A119.8
C16—C17—C18119.7 (3)C45—C44—C43121.1 (3)
C16—C17—H17A120.2C45—C44—H44A119.4
C18—C17—H17A120.2C43—C44—H44A119.4
C13—C18—C17121.4 (3)C44—C45—C46118.9 (3)
C13—C18—H18A119.3C44—C45—H45A120.6
C17—C18—H18A119.3C46—C45—H45A120.6
C20—C19—C24117.9 (3)C45—C46—C47121.0 (3)
C20—C19—C6122.3 (2)C45—C46—H46A119.5
C24—C19—C6119.7 (2)C47—C46—H46A119.5
C19—C20—C21120.2 (3)C48—C47—C46120.0 (3)
C19—C20—H20A119.9C48—C47—H47A120.0
C21—C20—H20A119.9C46—C47—H47A120.0
C22—C21—C20120.7 (3)C43—C48—C47118.5 (3)
C22—C21—H21A119.7C43—C48—C30122.9 (3)
C20—C21—H21A119.7C47—C48—C30118.6 (2)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2A···Cl20.862.793.630 (2)165
N4—H4A···Cl10.862.873.693 (2)160

Experimental details

Crystal data
Chemical formula[CdCl2(C24H20N2)2]
Mr856.15
Crystal system, space groupMonoclinic, P21/n
Temperature (K)295
a, b, c (Å)10.0531 (11), 22.903 (2), 17.5659 (18)
β (°) 98.693 (2)
V3)3998.0 (7)
Z4
Radiation typeMo Kα
µ (mm1)0.72
Crystal size (mm)0.09 × 0.06 × 0.05
Data collection
DiffractometerBruker SMART APEXII CCD
diffractometer
Absorption correctionMulti-scan
(SADABS; Sheldrick, 2003)
Tmin, Tmax0.937, 0.968
No. of measured, independent and
observed [I > 2σ(I)] reflections
25067, 9118, 5827
Rint0.044
(sin θ/λ)max1)0.649
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.039, 0.091, 0.97
No. of reflections9118
No. of parameters496
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.39, 0.34

Computer programs: APEX2 (Bruker, 2005), SAINT (Bruker, 2005), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected geometric parameters (Å, º) top
Cd1—N12.284 (2)Cd1—Cl22.3850 (9)
Cd1—N32.286 (2)Cd1—Cl12.3878 (8)
N1—Cd1—N395.24 (8)N1—Cd1—Cl1110.82 (6)
N1—Cd1—Cl2109.63 (6)N3—Cd1—Cl1108.47 (6)
N3—Cd1—Cl2108.33 (6)Cl2—Cd1—Cl1121.18 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2A···Cl20.862.793.630 (2)165.4
N4—H4A···Cl10.862.873.693 (2)159.7
 

Acknowledgements

This work was supported by the Education Office Found­ation of Liaoning Province (grant No. 605 L207).

References

First citationBruker (2005). APEX2 and SAINT. Bruker AXS inc., Madison, Wisconsin, USA.  Google Scholar
First citationFang, Y., Huang, C.-Y., Zhu, Z.-M., Yu, X.-L. & You, W.-S. (2006). Acta Cryst. E62, m3347–m3348.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationSheldrick, G. M. (2003). SADABS. University of Göttingen, Germany.  Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationZhang, G.-N., Fang, Y., Huang, C.-Y. & You, W.-S. (2007). Acta Cryst. E63, m2247.  Web of Science CSD CrossRef IUCr Journals Google Scholar

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