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In the title compound, [ZnCl2(C24H20N2)2], the ZnII centre has a distorted tetra­hedral geometry defined by two chloride ions and two N atoms of the pyridine rings of the monodentate 2-[(triphenyl­meth­yl)amino]pyridine ligands. Long intra­molecular N—H...Cl hydrogen bonds help to establish the three-dimensional architecture.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807036380/hb2480sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807036380/hb2480Isup2.hkl
Contains datablock I

CCDC reference: 657647

Key indicators

  • Single-crystal X-ray study
  • T = 273 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.041
  • wR factor = 0.093
  • Data-to-parameter ratio = 14.4

checkCIF/PLATON results

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Alert level C PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ?
Alert level G PLAT794_ALERT_5_G Check Predicted Bond Valency for Zn1 (2) 1.91
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Comment top

A new four-coordinated zinc complex (I) (Fig. 1) has been synthesized at room temperature, using 2-[N-(triphenylmethyl)imino]pyridyl as ligand. This complex is isomorphic with CoCl2(C24H20N2)2 (Fang et al., 2006) and exhibits approximate C2 local point symmetry. The Zn atom is tetrahedrally coordinated by atoms Cl1, Cl2, N1 and N4 (Table 1). Because of the large volume of the 2-[N-(triphenylmethyl)imino]pyridyl ligand, the formation of a four-coordinate complex is more possible rather than six-coordinate one. Long intramolecular N—H···Cl hydrogen bonds help to establish the three-dimensional architecture (Table 2).

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

Related literature top

For the isostructural cobalt complex, see Fang et al. (2006).

Experimental top

2-[N-(triphenylmethyl)imino]pyridine (0.03 g, 0.09 mmol) and ZnCl2 (0.025 g, 7.5 mmol) were dissolved in 3 ml and 5 ml of THF, respectively, then mixed. The mixed solution was stirred about 10 minutes and covered with hexane (10 ml). After three weeks, colourless crystals of (I) were obtained.

Refinement top

All H atoms were placed in calculated positions and allowed to ride during subsequent refinement, with C—H = 0.95 Å, N—H=0.88 Å and Uiso(H) = 1.2Ueq(C,N).

Structure description top

A new four-coordinated zinc complex (I) (Fig. 1) has been synthesized at room temperature, using 2-[N-(triphenylmethyl)imino]pyridyl as ligand. This complex is isomorphic with CoCl2(C24H20N2)2 (Fang et al., 2006) and exhibits approximate C2 local point symmetry. The Zn atom is tetrahedrally coordinated by atoms Cl1, Cl2, N1 and N4 (Table 1). Because of the large volume of the 2-[N-(triphenylmethyl)imino]pyridyl ligand, the formation of a four-coordinate complex is more possible rather than six-coordinate one. Long intramolecular N—H···Cl hydrogen bonds help to establish the three-dimensional architecture (Table 2).

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

For the isostructural cobalt complex, see Fang et al. (2006).

Computing details top

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.

Figures top
[Figure 1] Fig. 1. Molecular structure of (I), showing displacement ellipsids at the 15% probability level. H atoms have been omitted.
[Figure 2] Fig. 2. View of the packing of (I) with the unit cell outlined along the a axis, showing the stacking of complex (I). H atoms have been omitted for clarity.
Dichloridobis{2-[(triphenylmethyl)amino]pyridine-κN}zinc(II) top
Crystal data top
[ZnCl2(C24H20N2)2]F(000) = 1680
Mr = 809.11Dx = 1.359 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 10562 reflections
a = 10.0020 (11) Åθ = 1.0–25.3°
b = 22.806 (3) ŵ = 0.80 mm1
c = 17.4859 (19) ÅT = 273 K
β = 97.474 (2)°Slab, colourless
V = 3954.8 (7) Å30.21 × 0.18 × 0.09 mm
Z = 4
Data collection top
Bruker SMART APEXII CCD
diffractometer
7154 independent reflections
Radiation source: fine-focus sealed tube4606 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.048
CCD scansθmax = 25.3°, θmin = 2.1°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2003)
h = 1112
Tmin = 0.851, Tmax = 0.932k = 2727
20069 measured reflectionsl = 1720
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)] = 0.041Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.093H-atom parameters constrained
S = 0.98 w = 1/[σ2(Fo2) + (0.0382P)2]
where P = (Fo2 + 2Fc2)/3
7154 reflections(Δ/σ)max = 0.014
496 parametersΔρmax = 0.26 e Å3
0 restraintsΔρmin = 0.25 e Å3
Crystal data top
[ZnCl2(C24H20N2)2]V = 3954.8 (7) Å3
Mr = 809.11Z = 4
Monoclinic, P21/nMo Kα radiation
a = 10.0020 (11) ŵ = 0.80 mm1
b = 22.806 (3) ÅT = 273 K
c = 17.4859 (19) Å0.21 × 0.18 × 0.09 mm
β = 97.474 (2)°
Data collection top
Bruker SMART APEXII CCD
diffractometer
7154 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 2003)
4606 reflections with I > 2σ(I)
Tmin = 0.851, Tmax = 0.932Rint = 0.048
20069 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0410 restraints
wR(F2) = 0.093H-atom parameters constrained
S = 0.98Δρmax = 0.26 e Å3
7154 reflectionsΔρmin = 0.25 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 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
xyzUiso*/Ueq
Zn10.20829 (3)0.184545 (14)0.672517 (19)0.04241 (12)
Cl10.38196 (8)0.24000 (4)0.65113 (5)0.0688 (3)
Cl20.18386 (8)0.10023 (3)0.60858 (5)0.0542 (2)
N10.0303 (2)0.23186 (9)0.65577 (13)0.0397 (6)
N20.1226 (2)0.31113 (9)0.72501 (13)0.0374 (5)
H2B0.19830.29600.71690.045*
N30.0306 (2)0.10933 (9)0.77520 (13)0.0409 (6)
H3B0.04460.10690.72780.049*
N40.2199 (2)0.16819 (9)0.78946 (13)0.0372 (6)
C10.0105 (3)0.28327 (12)0.69121 (16)0.0371 (7)
C20.1211 (3)0.30574 (11)0.69143 (17)0.0425 (7)
H2A0.13500.34020.71780.051*
C30.2278 (3)0.27629 (13)0.65236 (18)0.0505 (8)
H3A0.31480.29060.65240.061*
C40.2071 (3)0.22538 (13)0.61273 (18)0.0546 (9)
H4A0.27880.20570.58470.065*
C50.0785 (3)0.20487 (12)0.61586 (17)0.0490 (8)
H5A0.06430.17060.58930.059*
C60.2808 (3)0.36848 (11)0.81083 (16)0.0373 (7)
C70.3823 (3)0.36604 (12)0.76456 (19)0.0494 (8)
H7A0.36000.36150.71160.059*
C80.5154 (3)0.37011 (14)0.7951 (2)0.0673 (10)
H8A0.58260.36790.76310.081*
C90.5489 (4)0.37745 (15)0.8733 (3)0.0763 (12)
H9A0.63900.37900.89470.092*
C100.4501 (4)0.38241 (16)0.9193 (2)0.0772 (11)
H10A0.47270.38930.97180.093*
C110.3167 (3)0.37737 (14)0.88887 (19)0.0594 (9)
H11A0.25010.38000.92120.071*
C120.1315 (2)0.36419 (11)0.77412 (15)0.0346 (6)
C130.1005 (3)0.41989 (11)0.72485 (17)0.0372 (7)
C140.1290 (3)0.47495 (12)0.75785 (18)0.0466 (8)
H14A0.16530.47750.80950.056*
C150.1042 (3)0.52547 (13)0.7153 (2)0.0568 (9)
H15A0.12160.56170.73890.068*
C160.0545 (3)0.52296 (15)0.6390 (2)0.0648 (10)
H16A0.03830.55720.61050.078*
C170.0285 (3)0.46927 (15)0.6047 (2)0.0625 (9)
H17A0.00560.46710.55270.075*
C180.0529 (3)0.41828 (13)0.64725 (17)0.0477 (8)
H18A0.03670.38220.62300.057*
C190.0425 (3)0.35623 (11)0.83840 (15)0.0364 (7)
C200.0364 (3)0.39970 (12)0.86408 (17)0.0431 (7)
H20A0.04890.43470.83680.052*
C210.0972 (3)0.39191 (13)0.92989 (18)0.0497 (8)
H21A0.14810.42210.94710.060*
C220.0835 (3)0.34015 (14)0.97023 (18)0.0524 (8)
H22A0.12430.33521.01460.063*
C230.0086 (3)0.29585 (13)0.94400 (18)0.0508 (8)
H23A0.00040.26030.97030.061*
C240.0530 (3)0.30366 (12)0.87916 (17)0.0442 (7)
H24A0.10300.27310.86200.053*
C250.1263 (3)0.13813 (11)0.82368 (16)0.0364 (7)
C260.1330 (3)0.13687 (12)0.90385 (16)0.0445 (7)
H26A0.06800.11680.92700.053*
C270.2352 (3)0.16520 (13)0.94814 (18)0.0522 (8)
H27A0.23960.16471.00160.063*
C280.3319 (3)0.19449 (13)0.91378 (19)0.0536 (8)
H28A0.40280.21370.94330.064*
C290.3209 (3)0.19459 (12)0.83550 (18)0.0463 (8)
H29A0.38680.21400.81230.056*
C300.0681 (3)0.02180 (12)0.83451 (16)0.0400 (7)
C310.0595 (3)0.00155 (13)0.85977 (17)0.0462 (8)
H31A0.13380.02400.85140.055*
C320.0790 (3)0.05162 (13)0.89734 (18)0.0546 (8)
H32A0.16610.06430.91480.065*
C330.0291 (3)0.08587 (13)0.90904 (18)0.0565 (9)
H33A0.01580.12170.93430.068*
C340.1571 (3)0.06679 (13)0.88316 (19)0.0582 (9)
H34A0.23100.08970.89100.070*
C350.1765 (3)0.01386 (13)0.84577 (18)0.0509 (8)
H35A0.26360.00170.82770.061*
C360.1688 (3)0.12494 (12)0.84274 (17)0.0419 (7)
C370.1913 (3)0.18148 (13)0.81464 (19)0.0538 (8)
H37A0.16030.19220.76870.065*
C380.2584 (3)0.22170 (14)0.8536 (2)0.0623 (9)
H38A0.27530.25890.83290.075*
C390.3011 (3)0.20764 (16)0.9228 (2)0.0671 (10)
H39A0.34510.23530.94960.081*
C400.2781 (3)0.15248 (16)0.9517 (2)0.0650 (10)
H40A0.30660.14260.99850.078*
C410.2128 (3)0.11109 (14)0.91195 (19)0.0532 (8)
H41A0.19850.07360.93220.064*
C420.0958 (3)0.08155 (12)0.79461 (16)0.0394 (7)
C430.1807 (3)0.06963 (11)0.71533 (17)0.0423 (7)
C440.3136 (3)0.08702 (13)0.69783 (19)0.0541 (9)
H44A0.35590.10640.73480.065*
C450.3841 (4)0.07584 (15)0.6259 (2)0.0692 (11)
H45A0.47370.08750.61520.083*
C460.3238 (4)0.04807 (15)0.5709 (2)0.0692 (11)
H46A0.37100.04200.52210.083*
C470.1932 (4)0.02886 (14)0.5873 (2)0.0649 (10)
H47A0.15190.00950.54990.078*
C480.1228 (3)0.03851 (13)0.66026 (19)0.0528 (8)
H48A0.03570.02390.67210.063*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.0464 (2)0.0439 (2)0.0381 (2)0.00337 (16)0.01008 (16)0.00190 (17)
Cl10.0696 (6)0.0687 (6)0.0756 (7)0.0228 (4)0.0382 (5)0.0186 (5)
Cl20.0642 (5)0.0505 (5)0.0484 (5)0.0032 (4)0.0099 (4)0.0093 (4)
N10.0435 (14)0.0375 (14)0.0366 (14)0.0042 (11)0.0007 (12)0.0026 (11)
N20.0320 (12)0.0382 (13)0.0421 (15)0.0016 (10)0.0047 (11)0.0034 (11)
N30.0418 (14)0.0481 (14)0.0325 (14)0.0125 (11)0.0037 (12)0.0037 (11)
N40.0338 (13)0.0437 (14)0.0339 (14)0.0046 (10)0.0040 (11)0.0021 (11)
C10.0396 (17)0.0387 (17)0.0316 (17)0.0053 (13)0.0001 (14)0.0060 (13)
C20.0405 (17)0.0397 (17)0.0462 (19)0.0021 (13)0.0015 (15)0.0045 (14)
C30.0442 (18)0.051 (2)0.054 (2)0.0028 (15)0.0018 (16)0.0169 (17)
C40.053 (2)0.050 (2)0.055 (2)0.0096 (16)0.0170 (17)0.0062 (17)
C50.060 (2)0.0415 (17)0.042 (2)0.0050 (15)0.0042 (17)0.0025 (14)
C60.0391 (16)0.0345 (15)0.0367 (18)0.0006 (12)0.0007 (15)0.0022 (13)
C70.0423 (18)0.055 (2)0.051 (2)0.0072 (14)0.0065 (16)0.0037 (16)
C80.0349 (19)0.079 (3)0.089 (3)0.0040 (16)0.0102 (19)0.011 (2)
C90.041 (2)0.083 (3)0.096 (4)0.0061 (18)0.021 (2)0.004 (2)
C100.064 (3)0.103 (3)0.058 (3)0.021 (2)0.018 (2)0.010 (2)
C110.048 (2)0.085 (2)0.043 (2)0.0120 (17)0.0009 (17)0.0030 (18)
C120.0348 (15)0.0345 (15)0.0336 (16)0.0008 (12)0.0016 (13)0.0007 (13)
C130.0318 (15)0.0409 (17)0.0395 (18)0.0000 (12)0.0063 (14)0.0063 (14)
C140.0437 (17)0.0458 (18)0.050 (2)0.0049 (14)0.0037 (16)0.0049 (16)
C150.056 (2)0.0392 (18)0.078 (3)0.0004 (15)0.018 (2)0.0093 (18)
C160.060 (2)0.055 (2)0.081 (3)0.0056 (17)0.014 (2)0.034 (2)
C170.064 (2)0.071 (2)0.051 (2)0.0059 (19)0.0004 (18)0.0243 (19)
C180.0515 (18)0.0489 (19)0.043 (2)0.0034 (14)0.0059 (16)0.0071 (15)
C190.0343 (15)0.0396 (17)0.0345 (17)0.0022 (12)0.0012 (13)0.0002 (13)
C200.0350 (16)0.0444 (18)0.049 (2)0.0005 (13)0.0031 (15)0.0019 (15)
C210.0400 (17)0.055 (2)0.056 (2)0.0013 (14)0.0110 (16)0.0096 (17)
C220.0517 (19)0.064 (2)0.044 (2)0.0076 (16)0.0143 (17)0.0004 (17)
C230.0554 (19)0.0491 (19)0.049 (2)0.0036 (15)0.0095 (17)0.0109 (16)
C240.0491 (18)0.0412 (18)0.0433 (19)0.0042 (13)0.0102 (15)0.0036 (14)
C250.0347 (15)0.0399 (16)0.0340 (17)0.0026 (13)0.0027 (14)0.0006 (14)
C260.0401 (17)0.0575 (19)0.0364 (18)0.0059 (14)0.0064 (15)0.0016 (15)
C270.0520 (19)0.067 (2)0.0356 (19)0.0007 (16)0.0001 (16)0.0035 (16)
C280.0408 (18)0.068 (2)0.049 (2)0.0108 (15)0.0044 (16)0.0067 (17)
C290.0360 (17)0.0549 (19)0.048 (2)0.0081 (14)0.0073 (16)0.0021 (16)
C300.0383 (17)0.0461 (17)0.0352 (18)0.0029 (13)0.0033 (14)0.0050 (14)
C310.0430 (18)0.0526 (19)0.0440 (19)0.0016 (14)0.0097 (15)0.0052 (15)
C320.0482 (19)0.063 (2)0.053 (2)0.0120 (16)0.0060 (17)0.0130 (17)
C330.070 (2)0.0474 (19)0.052 (2)0.0038 (17)0.0091 (19)0.0158 (16)
C340.060 (2)0.050 (2)0.065 (2)0.0083 (16)0.0096 (19)0.0143 (18)
C350.0416 (18)0.054 (2)0.057 (2)0.0051 (14)0.0049 (16)0.0107 (16)
C360.0333 (15)0.0499 (18)0.0415 (19)0.0047 (13)0.0017 (14)0.0045 (15)
C370.058 (2)0.0487 (19)0.055 (2)0.0029 (16)0.0099 (17)0.0056 (17)
C380.062 (2)0.048 (2)0.076 (3)0.0027 (17)0.008 (2)0.0046 (19)
C390.050 (2)0.072 (3)0.083 (3)0.0022 (18)0.020 (2)0.014 (2)
C400.060 (2)0.081 (3)0.057 (2)0.0048 (19)0.0203 (19)0.005 (2)
C410.0489 (19)0.059 (2)0.052 (2)0.0016 (15)0.0086 (17)0.0093 (17)
C420.0337 (15)0.0467 (17)0.0374 (18)0.0092 (13)0.0033 (14)0.0053 (14)
C430.0429 (18)0.0388 (17)0.0430 (19)0.0105 (13)0.0032 (15)0.0079 (15)
C440.0473 (19)0.060 (2)0.052 (2)0.0035 (16)0.0071 (17)0.0077 (16)
C450.057 (2)0.074 (3)0.071 (3)0.0073 (19)0.013 (2)0.012 (2)
C460.078 (3)0.067 (2)0.055 (3)0.016 (2)0.021 (2)0.011 (2)
C470.079 (3)0.065 (2)0.049 (2)0.0132 (19)0.000 (2)0.0056 (18)
C480.055 (2)0.0506 (19)0.051 (2)0.0108 (15)0.0017 (18)0.0010 (16)
Geometric parameters (Å, º) top
Zn1—N12.069 (2)C21—C221.373 (4)
Zn1—N42.067 (2)C21—H21A0.9300
Zn1—Cl12.2193 (8)C22—C231.372 (4)
Zn1—Cl22.2218 (8)C22—H22A0.9300
N1—C11.353 (3)C23—C241.371 (4)
N1—C51.361 (3)C23—H23A0.9300
N2—C11.356 (3)C24—H24A0.9300
N2—C121.480 (3)C25—C261.395 (4)
N2—H2B0.8600C26—C271.362 (4)
N3—C251.362 (3)C26—H26A0.9300
N3—C421.492 (3)C27—C281.376 (4)
N3—H3B0.8600C27—H27A0.9300
N4—C291.349 (3)C28—C291.359 (4)
N4—C251.360 (3)C28—H28A0.9300
C1—C21.413 (4)C29—H29A0.9300
C2—C31.366 (4)C30—C311.375 (4)
C2—H2A0.9300C30—C351.389 (4)
C3—C41.381 (4)C30—C421.540 (4)
C3—H3A0.9300C31—C321.381 (4)
C4—C51.363 (4)C31—H31A0.9300
C4—H4A0.9300C32—C331.371 (4)
C5—H5A0.9300C32—H32A0.9300
C6—C71.378 (4)C33—C341.372 (4)
C6—C111.380 (4)C33—H33A0.9300
C6—C121.551 (3)C34—C351.374 (4)
C7—C81.372 (4)C34—H34A0.9300
C7—H7A0.9300C35—H35A0.9300
C8—C91.376 (5)C36—C411.377 (4)
C8—H8A0.9300C36—C371.388 (4)
C9—C101.358 (5)C36—C421.542 (4)
C9—H9A0.9300C37—C381.369 (4)
C10—C111.375 (4)C37—H37A0.9300
C10—H10A0.9300C38—C391.372 (5)
C11—H11A0.9300C38—H38A0.9300
C12—C191.532 (4)C39—C401.364 (4)
C12—C131.543 (3)C39—H39A0.9300
C13—C181.379 (4)C40—C411.385 (4)
C13—C141.396 (4)C40—H40A0.9300
C14—C151.376 (4)C41—H41A0.9300
C14—H14A0.9300C42—C431.552 (4)
C15—C161.364 (4)C43—C441.382 (4)
C15—H15A0.9300C43—C481.383 (4)
C16—C171.374 (4)C44—C451.383 (4)
C16—H16A0.9300C44—H44A0.9300
C17—C181.385 (4)C45—C461.357 (5)
C17—H17A0.9300C45—H45A0.9300
C18—H18A0.9300C46—C471.372 (5)
C19—C201.379 (4)C46—H46A0.9300
C19—C241.392 (3)C47—C481.392 (4)
C20—C211.381 (4)C47—H47A0.9300
C20—H20A0.9300C48—H48A0.9300
N1—Zn1—N499.83 (9)C21—C22—C23118.9 (3)
N1—Zn1—Cl1110.89 (7)C21—C22—H22A120.5
N4—Zn1—Cl1108.97 (6)C23—C22—H22A120.5
N1—Zn1—Cl2110.11 (7)C24—C23—C22120.3 (3)
N4—Zn1—Cl2109.27 (6)C24—C23—H23A119.9
Cl1—Zn1—Cl2116.46 (3)C22—C23—H23A119.9
C1—N1—C5118.1 (2)C23—C24—C19121.6 (3)
C1—N1—Zn1124.20 (17)C23—C24—H24A119.2
C5—N1—Zn1116.90 (19)C19—C24—H24A119.2
C1—N2—C12128.3 (2)N4—C25—N3116.0 (2)
C1—N2—H2B115.9N4—C25—C26120.4 (2)
C12—N2—H2B115.9N3—C25—C26123.6 (2)
C25—N3—C42127.7 (2)C27—C26—C25119.7 (3)
C25—N3—H3B116.2C27—C26—H26A120.1
C42—N3—H3B116.2C25—C26—H26A120.1
C29—N4—C25117.8 (2)C26—C27—C28120.0 (3)
C29—N4—Zn1116.83 (18)C26—C27—H27A120.0
C25—N4—Zn1124.95 (18)C28—C27—H27A120.0
N2—C1—N1116.3 (2)C29—C28—C27118.1 (3)
N2—C1—C2123.2 (3)C29—C28—H28A121.0
N1—C1—C2120.5 (2)C27—C28—H28A121.0
C3—C2—C1119.2 (3)N4—C29—C28123.9 (3)
C3—C2—H2A120.4N4—C29—H29A118.1
C1—C2—H2A120.4C28—C29—H29A118.1
C2—C3—C4120.4 (3)C31—C30—C35117.8 (3)
C2—C3—H3A119.8C31—C30—C42123.2 (2)
C4—C3—H3A119.8C35—C30—C42119.0 (2)
C5—C4—C3118.1 (3)C32—C31—C30121.1 (3)
C5—C4—H4A121.0C32—C31—H31A119.5
C3—C4—H4A121.0C30—C31—H31A119.5
C4—C5—N1123.6 (3)C33—C32—C31120.4 (3)
C4—C5—H5A118.2C33—C32—H32A119.8
N1—C5—H5A118.2C31—C32—H32A119.8
C7—C6—C11118.0 (3)C32—C33—C34119.4 (3)
C7—C6—C12119.8 (2)C32—C33—H33A120.3
C11—C6—C12122.1 (3)C34—C33—H33A120.3
C8—C7—C6121.4 (3)C33—C34—C35120.2 (3)
C8—C7—H7A119.3C33—C34—H34A119.9
C6—C7—H7A119.3C35—C34—H34A119.9
C9—C8—C7119.6 (3)C34—C35—C30121.1 (3)
C9—C8—H8A120.2C34—C35—H35A119.4
C7—C8—H8A120.2C30—C35—H35A119.4
C10—C9—C8119.8 (3)C41—C36—C37117.9 (3)
C10—C9—H9A120.1C41—C36—C42124.1 (3)
C8—C9—H9A120.1C37—C36—C42118.0 (3)
C9—C10—C11120.6 (3)C38—C37—C36120.9 (3)
C9—C10—H10A119.7C38—C37—H37A119.5
C11—C10—H10A119.7C36—C37—H37A119.5
C10—C11—C6120.6 (3)C37—C38—C39120.7 (3)
C10—C11—H11A119.7C37—C38—H38A119.6
C6—C11—H11A119.7C39—C38—H38A119.6
N2—C12—C19109.4 (2)C40—C39—C38119.0 (3)
N2—C12—C13110.9 (2)C40—C39—H39A120.5
C19—C12—C13114.4 (2)C38—C39—H39A120.5
N2—C12—C6105.87 (19)C39—C40—C41120.7 (3)
C19—C12—C6108.9 (2)C39—C40—H40A119.6
C13—C12—C6106.9 (2)C41—C40—H40A119.6
C18—C13—C14117.2 (3)C36—C41—C40120.7 (3)
C18—C13—C12123.1 (2)C36—C41—H41A119.7
C14—C13—C12119.6 (2)C40—C41—H41A119.7
C15—C14—C13121.2 (3)N3—C42—C30111.8 (2)
C15—C14—H14A119.4N3—C42—C36109.1 (2)
C13—C14—H14A119.4C30—C42—C36113.0 (2)
C16—C15—C14120.7 (3)N3—C42—C43104.6 (2)
C16—C15—H15A119.6C30—C42—C43107.2 (2)
C14—C15—H15A119.6C36—C42—C43110.9 (2)
C15—C16—C17119.3 (3)C44—C43—C48118.1 (3)
C15—C16—H16A120.4C44—C43—C42123.1 (3)
C17—C16—H16A120.4C48—C43—C42118.8 (3)
C16—C17—C18120.2 (3)C43—C44—C45120.7 (3)
C16—C17—H17A119.9C43—C44—H44A119.7
C18—C17—H17A119.9C45—C44—H44A119.7
C13—C18—C17121.4 (3)C46—C45—C44120.6 (3)
C13—C18—H18A119.3C46—C45—H45A119.7
C17—C18—H18A119.3C44—C45—H45A119.7
C20—C19—C24117.4 (3)C45—C46—C47120.0 (3)
C20—C19—C12124.4 (2)C45—C46—H46A120.0
C24—C19—C12117.7 (2)C47—C46—H46A120.0
C19—C20—C21120.8 (3)C46—C47—C48119.7 (4)
C19—C20—H20A119.6C46—C47—H47A120.2
C21—C20—H20A119.6C48—C47—H47A120.2
C22—C21—C20120.9 (3)C43—C48—C47120.7 (3)
C22—C21—H21A119.6C43—C48—H48A119.6
C20—C21—H21A119.6C47—C48—H48A119.6
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2B···Cl10.862.623.450 (2)162
N3—H3B···Cl20.862.663.470 (2)158

Experimental details

Crystal data
Chemical formula[ZnCl2(C24H20N2)2]
Mr809.11
Crystal system, space groupMonoclinic, P21/n
Temperature (K)273
a, b, c (Å)10.0020 (11), 22.806 (3), 17.4859 (19)
β (°) 97.474 (2)
V3)3954.8 (7)
Z4
Radiation typeMo Kα
µ (mm1)0.80
Crystal size (mm)0.21 × 0.18 × 0.09
Data collection
DiffractometerBruker SMART APEXII CCD
Absorption correctionMulti-scan
(SADABS; Sheldrick, 2003)
Tmin, Tmax0.851, 0.932
No. of measured, independent and
observed [I > 2σ(I)] reflections
20069, 7154, 4606
Rint0.048
(sin θ/λ)max1)0.601
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.041, 0.093, 0.98
No. of reflections7154
No. of parameters496
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.26, 0.25

Computer programs: APEX2 (Bruker, 2005), SAINT (Bruker, 2005), SAINT, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), SHELXTL (Bruker, 1997), SHELXTL.

Selected bond lengths (Å) top
Zn1—N12.069 (2)Zn1—Cl12.2193 (8)
Zn1—N42.067 (2)Zn1—Cl22.2218 (8)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2B···Cl10.862.623.450 (2)162
N3—H3B···Cl20.862.663.470 (2)158
 

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