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In the title compound, [ZnCl2(C10H22N2)], the ZnII ion coordinates to the N atoms of tetra­methyl­cyclo­hexane-1,2-diamine and to two chloride ions in an approximately tetra­hedral arrangement. The N—Zn—N and Cl—Zn—Cl planes are approximately orthogonal, with a dihedral angle of 89.7 (2)° between them. Four C atoms of the cyclohexane ring, together with their attached H atoms, are disordered equally over two sites.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807042675/sj2341sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807042675/sj2341Isup2.hkl
Contains datablock I

CCDC reference: 663558

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](N-C) = 0.012 Å
  • Disorder in main residue
  • R factor = 0.067
  • wR factor = 0.159
  • Data-to-parameter ratio = 20.4

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.92 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Zn PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C5' PLAT301_ALERT_3_C Main Residue Disorder ......................... 21.00 Perc. PLAT412_ALERT_2_C Short Intra XH3 .. XHn H2A .. H3 .. 1.87 Ang. PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 28.40 Deg. C3 -N1 -C3' 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 23.60 Deg. C8 -N2 -C8' 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 31.80 Deg. C5' -C4 -C5 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 27.60 Deg. C3' -C4 -C3 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 23.90 Deg. C8' -C7 -C8 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 26.30 Deg. C6' -C7 -C6 1.555 1.555 1.555
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 14 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 12 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Comment top

Chiral N,N,N',N'-tetramethylcycloheane-1,2-diamine has been used as enantioselective additive for the asymmetric addition of aryl or alkyl lithium to pro-chiral imines (Cabello et al., 2005; Kizirian et al., 2005). Crystal structures of zinc complexes containing non-macrocyclic cyclohexane- 1,2-diamine as ligand are very rare (Roh et al., 2004). Herein, we report the crystal structure of the ZnII complex bearing N,N,N',N'-tetramethylcycloheane-1,2-diamine and two chloride anions. The geometry around ZnII is a near tetrahedron while the Cu(II) complex bearing the same ligand has a distorted square-planar geometry (Pavlova et al., 2003). The angles between N—Zn—N and Cl—Zn—Cl planes are 89.7 (2)°.

Related literature top

For the use of tetramethylcyclohexane-1,2-diamine in asymmetric addition, see: Cabello et al. (2005); Kizirian et al. (2005). For related structures, see: Roh et al. (2004); Pavlova et al. (2003).

Experimental top

To a solution of ZnCl2 (0.084 g, 0.61 mmol) in THF (10 ml) was added dropwise a solution of trans-(1R,2R)- N,N,N',N'-tetramethylcycloheane-1,2-diamine (0.93 g, 0.61 mmol) in THF (10 ml). The mixture was stirred for 2 days at room temperature. The solvent was removed and the residue was washed with ether to give a white solid. Colorless crystals was obtained from methanol solution. Yield; 1.40 g (75%). Anal. Calcd. for C10H22Cl2N2Zn: C, 39.18; H, 7.23; N, 9.14. Found: C, 39.15; H, 7.24; N, 9.10%. 1H NMR (CDCl3); δ 2.45(m, 4H, CHDA), 2.08(m, 2H, CHDA), 1.86(m, 2H, CHDA), 1.25(m, 1H, CHDA), 1.13(m, 1H, CHDA). 2.27(s, 12H, CH3).

Refinement top

The C3, C5, C6 and C8 carbon atoms of the cyclohexane ring are disordered over two positions. They were refined isotropically at half occupancies. All H-atoms were positioned geometrically and refined using a riding model with d(C—H) = 0.98 Å, Uiso = 1.2Ueq (C) for CH, 0.97 Å, Uiso = 1.2Ueq (C) for CH2 and 0.96 Å, Uiso = 1.5Ueq (C) for CH3 atoms.

Structure description top

Chiral N,N,N',N'-tetramethylcycloheane-1,2-diamine has been used as enantioselective additive for the asymmetric addition of aryl or alkyl lithium to pro-chiral imines (Cabello et al., 2005; Kizirian et al., 2005). Crystal structures of zinc complexes containing non-macrocyclic cyclohexane- 1,2-diamine as ligand are very rare (Roh et al., 2004). Herein, we report the crystal structure of the ZnII complex bearing N,N,N',N'-tetramethylcycloheane-1,2-diamine and two chloride anions. The geometry around ZnII is a near tetrahedron while the Cu(II) complex bearing the same ligand has a distorted square-planar geometry (Pavlova et al., 2003). The angles between N—Zn—N and Cl—Zn—Cl planes are 89.7 (2)°.

For the use of tetramethylcyclohexane-1,2-diamine in asymmetric addition, see: Cabello et al. (2005); Kizirian et al. (2005). For related structures, see: Roh et al. (2004); Pavlova et al. (2003).

Computing details top

Data collection: CAD-4 Software (Enraf–Nonius, 1989); cell refinement: CAD-4 Software (Enraf–Nonius, 1989); data reduction: XCAD (McArdle, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEXIII (McArdle, 1995); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

Figures top
[Figure 1] Fig. 1. A view of Dichloro[trans-(1R,2R)-N,N,N',N'-tetramethylcyclohexane- 1,2-diamine-κ2N.N']zinc(II). Displacement ellipsoids are drawn at the 40% probability level. Hydrogen atoms at methyl groups are omitted for clarity.
Dichlorido[N,N,N',N'-tetramethylcyclohexane-1,2-diamine-κ2N,N']zinc(II) top
Crystal data top
[ZnCl2(C10H22N2)]F(000) = 640
Mr = 306.59Dx = 1.406 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 25 reflections
a = 8.2566 (6) Åθ = 9.2–13.3°
b = 14.1915 (13) ŵ = 2.04 mm1
c = 12.9584 (9) ÅT = 293 K
β = 107.504 (6)°Block, colorless
V = 1448.1 (2) Å30.40 × 0.40 × 0.35 mm
Z = 4
Data collection top
Enraf–Nonius CAD-4 four-circle
diffractometer
2388 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.011
Graphite monochromatorθmax = 25.5°, θmin = 2.2°
scintillation counter scansh = 99
Absorption correction: ψ scan
(ABSCALC; McArdle & Daly, 1999)
k = 170
Tmin = 0.46, Tmax = 0.49l = 015
2918 measured reflections3 standard reflections every 60 min
2687 independent reflections intensity decay: 0.2%
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)] = 0.067Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.159H-atom parameters constrained
S = 1.28 w = 1/[σ2(Fo2) + (0.0001P)2 + 8.9534P]
where P = (Fo2 + 2Fc2)/3
2687 reflections(Δ/σ)max < 0.001
132 parametersΔρmax = 0.45 e Å3
0 restraintsΔρmin = 0.49 e Å3
Crystal data top
[ZnCl2(C10H22N2)]V = 1448.1 (2) Å3
Mr = 306.59Z = 4
Monoclinic, P21/nMo Kα radiation
a = 8.2566 (6) ŵ = 2.04 mm1
b = 14.1915 (13) ÅT = 293 K
c = 12.9584 (9) Å0.40 × 0.40 × 0.35 mm
β = 107.504 (6)°
Data collection top
Enraf–Nonius CAD-4 four-circle
diffractometer
2388 reflections with I > 2σ(I)
Absorption correction: ψ scan
(ABSCALC; McArdle & Daly, 1999)
Rint = 0.011
Tmin = 0.46, Tmax = 0.493 standard reflections every 60 min
2918 measured reflections intensity decay: 0.2%
2687 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0670 restraints
wR(F2) = 0.159H-atom parameters constrained
S = 1.28Δρmax = 0.45 e Å3
2687 reflectionsΔρmin = 0.49 e Å3
132 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Zn0.24797 (10)0.14548 (6)0.43395 (6)0.0467 (3)
Cl10.2396 (3)0.07751 (16)0.58652 (15)0.0690 (6)
Cl20.4590 (3)0.24418 (18)0.4487 (2)0.0833 (8)
N10.0079 (7)0.1968 (4)0.3495 (5)0.0476 (14)
N20.2142 (8)0.0459 (5)0.3122 (5)0.0562 (16)
C10.0956 (11)0.2038 (8)0.4228 (8)0.089 (3)
H1A0.04990.25170.47590.106*
H1B0.09490.14440.45850.106*
H1C0.21010.21980.38240.106*
C20.0250 (13)0.2904 (6)0.3069 (10)0.099 (4)
H2A0.10000.28720.26300.119*
H2B0.07080.33320.36590.119*
H2C0.08450.31240.26390.119*
C30.0397 (18)0.1419 (11)0.2458 (12)0.049 (3)*0.50
H30.00880.17440.19520.059*0.50
C3'0.0814 (17)0.1143 (10)0.2794 (11)0.040 (3)*0.50
H3'0.10850.06660.32630.048*0.50
C40.2412 (9)0.1412 (6)0.1940 (7)0.067 (2)
H4A0.29540.11210.24280.080*
H4B0.28460.20470.17790.080*
C50.273 (3)0.0825 (16)0.0888 (18)0.087 (6)*0.50
H5A0.39130.06410.07080.105*0.50
H5B0.26760.12820.03430.105*0.50
C5'0.330 (2)0.0612 (12)0.1266 (14)0.060 (4)*0.50
H5C0.39880.08520.05720.072*0.50
H5D0.40620.03220.16170.072*0.50
C60.211 (3)0.0220 (16)0.0704 (17)0.073 (5)*0.50
H6A0.19290.03260.00070.088*0.50
H6B0.28870.03070.06170.088*0.50
C6'0.204 (3)0.0172 (17)0.1069 (19)0.087 (6)*0.50
H6C0.23950.07700.12950.104*0.50
H6D0.22400.02130.02930.104*0.50
C70.0311 (12)0.0100 (7)0.1544 (7)0.075 (3)
H7A0.03970.07600.17150.090*
H7B0.05490.00520.11750.090*
C80.033 (2)0.0454 (12)0.2630 (14)0.053 (4)*0.50
H80.01570.01420.31420.064*0.50
C8'0.0396 (18)0.0717 (11)0.2248 (13)0.045 (3)*0.50
H8'0.06420.12070.17830.054*0.50
C90.3344 (12)0.0601 (9)0.2507 (8)0.099 (4)
H9A0.32390.00950.20000.118*
H9B0.44800.06130.29940.118*
H9C0.31040.11890.21240.118*
C100.2425 (18)0.0485 (7)0.3608 (10)0.117 (5)
H10A0.18140.09420.30890.140*
H10B0.20290.05020.42330.140*
H10C0.36160.06290.38190.140*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn0.0422 (4)0.0500 (5)0.0456 (5)0.0030 (4)0.0101 (3)0.0028 (4)
Cl10.0779 (14)0.0781 (14)0.0414 (10)0.0194 (11)0.0034 (9)0.0103 (9)
Cl20.0577 (13)0.0751 (15)0.119 (2)0.0192 (11)0.0298 (13)0.0030 (14)
N10.044 (3)0.046 (3)0.048 (3)0.006 (3)0.007 (3)0.002 (3)
N20.053 (4)0.065 (4)0.057 (4)0.010 (3)0.026 (3)0.003 (3)
C10.061 (6)0.135 (10)0.076 (6)0.025 (6)0.029 (5)0.009 (6)
C20.090 (7)0.059 (6)0.138 (10)0.012 (5)0.016 (7)0.047 (6)
C40.048 (4)0.069 (5)0.069 (5)0.006 (4)0.004 (4)0.010 (5)
C70.087 (7)0.075 (6)0.059 (5)0.015 (5)0.018 (5)0.022 (5)
C90.074 (6)0.153 (11)0.083 (7)0.005 (7)0.046 (6)0.028 (7)
C100.205 (15)0.053 (6)0.103 (9)0.016 (8)0.062 (9)0.003 (6)
Geometric parameters (Å, º) top
Zn—N22.073 (7)C4—H4A0.9700
Zn—N12.086 (6)C4—H4B0.9700
Zn—Cl22.199 (2)C5—C61.06 (2)
Zn—Cl12.219 (2)C5—H5A0.9700
N1—C11.461 (10)C5—H5B0.9700
N1—C21.462 (10)C5'—C6'1.59 (3)
N1—C31.500 (15)C5'—H5C0.9700
N1—C3'1.528 (14)C5'—H5D0.9700
N2—C81.438 (16)C6—C71.62 (2)
N2—C91.462 (10)C6—H6A0.9700
N2—C101.468 (11)C6—H6B0.9700
N2—C8'1.585 (16)C6'—C71.38 (2)
C1—H1A0.9600C6'—H6C0.9700
C1—H1B0.9600C6'—H6D0.9700
C1—H1C0.9600C7—C8'1.482 (16)
C2—H2A0.9600C7—C81.559 (17)
C2—H2B0.9600C7—H7A0.9700
C2—H2C0.9600C7—H7B0.9700
C3—C81.49 (2)C8—H80.9800
C3—C41.596 (16)C8'—H8'0.9800
C3—H30.9800C9—H9A0.9600
C3'—C41.494 (14)C9—H9B0.9600
C3'—C8'1.513 (19)C9—H9C0.9600
C3'—H3'0.9800C10—H10A0.9600
C4—C5'1.485 (18)C10—H10B0.9600
C4—C51.55 (2)C10—H10C0.9600
N2—Zn—N187.1 (2)H4A—C4—H4B108.9
N2—Zn—Cl2114.97 (19)C6—C5—C4132 (2)
N1—Zn—Cl2115.24 (18)C6—C5—H5A104.3
N2—Zn—Cl1110.38 (19)C4—C5—H5A104.3
N1—Zn—Cl1109.88 (18)C6—C5—H5B104.3
Cl2—Zn—Cl1115.83 (10)C4—C5—H5B104.3
C1—N1—C2109.0 (8)H5A—C5—H5B105.6
C1—N1—C3124.9 (9)C4—C5'—C6'113.4 (14)
C2—N1—C399.4 (9)C4—C5'—H5C108.9
C1—N1—C3'99.6 (8)C6'—C5'—H5C108.9
C2—N1—C3'123.8 (8)C4—C5'—H5D108.9
C3—N1—C3'28.4 (6)C6'—C5'—H5D108.9
C1—N1—Zn109.4 (5)H5C—C5'—H5D107.7
C2—N1—Zn109.3 (5)C5—C6—C7119 (2)
C3—N1—Zn103.9 (6)C5—C6—H6A107.6
C3'—N1—Zn104.9 (6)C7—C6—H6A107.6
C8—N2—C9123.0 (10)C5—C6—H6B107.6
C8—N2—C10101.3 (10)C7—C6—H6B107.6
C9—N2—C10108.2 (8)H6A—C6—H6B107.0
C8—N2—C8'23.6 (7)C7—C6'—C5'120.9 (17)
C9—N2—C8'101.5 (8)C7—C6'—H6C107.1
C10—N2—C8'120.7 (9)C5'—C6'—H6C107.1
C8—N2—Zn103.0 (7)C7—C6'—H6D107.1
C9—N2—Zn111.2 (6)C5'—C6'—H6D107.1
C10—N2—Zn109.2 (6)H6C—C6'—H6D106.8
C8'—N2—Zn105.7 (6)C6'—C7—C8'119.7 (13)
N1—C1—H1A109.5C6'—C7—C8117.7 (13)
N1—C1—H1B109.5C8'—C7—C823.9 (7)
H1A—C1—H1B109.5C6'—C7—C626.3 (11)
N1—C1—H1C109.5C8'—C7—C6107.8 (11)
H1A—C1—H1C109.5C8—C7—C6117.4 (11)
H1B—C1—H1C109.5C6'—C7—H7A83.8
N1—C2—H2A109.5C8'—C7—H7A131.0
N1—C2—H2B109.5C8—C7—H7A108.0
H2A—C2—H2B109.5C6—C7—H7A108.0
N1—C2—H2C109.5C6'—C7—H7B126.8
H2A—C2—H2C109.5C8'—C7—H7B92.1
H2B—C2—H2C109.5C8—C7—H7B108.0
C8—C3—N1111.0 (12)C6—C7—H7B108.0
C8—C3—C4112.4 (12)H7A—C7—H7B107.2
N1—C3—C4109.8 (10)N2—C8—C3112.5 (13)
C8—C3—H3107.8N2—C8—C7115.4 (11)
N1—C3—H3107.8C3—C8—C7108.5 (13)
C4—C3—H3107.8N2—C8—H8106.7
C4—C3'—C8'108.4 (11)C3—C8—H8106.7
C4—C3'—N1113.9 (10)C7—C8—H8106.7
C8'—C3'—N1108.4 (10)C7—C8'—C3'114.1 (12)
C4—C3'—H3'108.7C7—C8'—N2111.3 (11)
C8'—C3'—H3'108.7C3'—C8'—N2110.2 (11)
N1—C3'—H3'108.7C7—C8'—H8'107.0
C5'—C4—C3'114.3 (10)C3'—C8'—H8'107.0
C5'—C4—C531.8 (9)N2—C8'—H8'107.0
C3'—C4—C5113.1 (11)N2—C9—H9A109.5
C5'—C4—C3121.4 (10)N2—C9—H9B109.5
C3'—C4—C327.6 (6)H9A—C9—H9B109.5
C5—C4—C3104.6 (11)N2—C9—H9C109.5
C5'—C4—H4A79.3H9A—C9—H9C109.5
C3'—C4—H4A83.5H9B—C9—H9C109.5
C5—C4—H4A110.8N2—C10—H10A109.5
C3—C4—H4A110.8N2—C10—H10B109.5
C5'—C4—H4B119.9H10A—C10—H10B109.5
C3'—C4—H4B125.7N2—C10—H10C109.5
C5—C4—H4B110.8H10A—C10—H10C109.5
C3—C4—H4B110.8H10B—C10—H10C109.5
N2—Zn—N1—C1128.6 (6)N1—C3—C4—C5179.8 (12)
Cl2—Zn—N1—C1115.1 (6)C5'—C4—C5—C690 (4)
Cl1—Zn—N1—C117.9 (6)C3'—C4—C5—C69 (4)
N2—Zn—N1—C2112.2 (6)C3—C4—C5—C637 (3)
Cl2—Zn—N1—C24.1 (7)C3'—C4—C5'—C6'33.8 (19)
Cl1—Zn—N1—C2137.2 (6)C5—C4—C5'—C6'61 (2)
N2—Zn—N1—C36.8 (8)C3—C4—C5'—C6'4 (2)
Cl2—Zn—N1—C3109.5 (7)C4—C5—C6—C712 (4)
Cl1—Zn—N1—C3117.4 (7)C4—C5'—C6'—C73 (3)
N2—Zn—N1—C3'22.5 (7)C5'—C6'—C7—C8'0 (3)
Cl2—Zn—N1—C3'138.8 (6)C5'—C6'—C7—C827 (3)
Cl1—Zn—N1—C3'88.2 (7)C5'—C6'—C7—C669 (3)
N1—Zn—N2—C819.6 (9)C5—C6—C7—C6'103 (4)
Cl2—Zn—N2—C8136.2 (8)C5—C6—C7—C8'19 (3)
Cl1—Zn—N2—C890.5 (8)C5—C6—C7—C85 (3)
N1—Zn—N2—C9113.9 (6)C9—N2—C8—C382.1 (16)
Cl2—Zn—N2—C92.6 (7)C10—N2—C8—C3157.2 (13)
Cl1—Zn—N2—C9135.9 (6)C8'—N2—C8—C355 (2)
N1—Zn—N2—C10126.7 (7)Zn—N2—C8—C344.3 (15)
Cl2—Zn—N2—C10116.8 (7)C9—N2—C8—C743.1 (18)
Cl1—Zn—N2—C1016.5 (7)C10—N2—C8—C777.6 (14)
N1—Zn—N2—C8'4.6 (7)C8'—N2—C8—C770 (2)
Cl2—Zn—N2—C8'112.0 (7)Zn—N2—C8—C7169.4 (10)
Cl1—Zn—N2—C8'114.7 (7)N1—C3—C8—N255.0 (18)
C1—N1—C3—C893.7 (14)C4—C3—C8—N2178.4 (10)
C2—N1—C3—C8145.1 (12)N1—C3—C8—C7176.1 (10)
C3'—N1—C3—C863.3 (17)C4—C3—C8—C752.7 (17)
Zn—N1—C3—C832.4 (14)C6'—C7—C8—N2176.4 (15)
C1—N1—C3—C431.2 (15)C8'—C7—C8—N282 (2)
C2—N1—C3—C489.9 (11)C6—C7—C8—N2153.9 (13)
C3'—N1—C3—C461.7 (16)C6'—C7—C8—C356 (2)
Zn—N1—C3—C4157.3 (8)C8'—C7—C8—C345 (2)
C1—N1—C3'—C479.6 (11)C6—C7—C8—C326.7 (19)
C2—N1—C3'—C441.1 (14)C6'—C7—C8'—C3'27 (2)
C3—N1—C3'—C475.5 (18)C8—C7—C8'—C3'65 (2)
Zn—N1—C3'—C4167.2 (8)C6—C7—C8'—C3'53.0 (17)
C1—N1—C3'—C8'159.6 (11)C6'—C7—C8'—N2152.6 (15)
C2—N1—C3'—C8'79.7 (13)C8—C7—C8'—N261 (2)
C3—N1—C3'—C8'45.4 (16)C6—C7—C8'—N2178.4 (11)
Zn—N1—C3'—C8'46.4 (12)C4—C3'—C8'—C756.2 (16)
C8'—C3'—C4—C5'60.1 (15)N1—C3'—C8'—C7179.6 (10)
N1—C3'—C4—C5'179.1 (11)C4—C3'—C8'—N2177.7 (10)
C8'—C3'—C4—C525.3 (17)N1—C3'—C8'—N253.6 (14)
N1—C3'—C4—C5146.2 (12)C8—N2—C8'—C773 (2)
C8'—C3'—C4—C351.7 (16)C9—N2—C8'—C784.1 (12)
N1—C3'—C4—C369.2 (17)C10—N2—C8'—C735.4 (15)
C8—C3—C4—C5'26.1 (19)Zn—N2—C8'—C7159.7 (9)
N1—C3—C4—C5'150.3 (12)C8—N2—C8'—C3'54 (2)
C8—C3—C4—C3'56.5 (17)C9—N2—C8'—C3'148.3 (12)
N1—C3—C4—C3'67.6 (16)C10—N2—C8'—C3'92.2 (13)
C8—C3—C4—C555.6 (17)Zn—N2—C8'—C3'32.2 (13)

Experimental details

Crystal data
Chemical formula[ZnCl2(C10H22N2)]
Mr306.59
Crystal system, space groupMonoclinic, P21/n
Temperature (K)293
a, b, c (Å)8.2566 (6), 14.1915 (13), 12.9584 (9)
β (°) 107.504 (6)
V3)1448.1 (2)
Z4
Radiation typeMo Kα
µ (mm1)2.04
Crystal size (mm)0.40 × 0.40 × 0.35
Data collection
DiffractometerEnraf–Nonius CAD-4 four-circle
Absorption correctionψ scan
(ABSCALC; McArdle & Daly, 1999)
Tmin, Tmax0.46, 0.49
No. of measured, independent and
observed [I > 2σ(I)] reflections
2918, 2687, 2388
Rint0.011
(sin θ/λ)max1)0.605
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.067, 0.159, 1.28
No. of reflections2687
No. of parameters132
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.45, 0.49

Computer programs: CAD-4 Software (Enraf–Nonius, 1989), XCAD (McArdle, 1999), SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), ORTEXIII (McArdle, 1995).

Selected geometric parameters (Å, º) top
Zn—N22.073 (7)Zn—Cl22.199 (2)
Zn—N12.086 (6)Zn—Cl12.219 (2)
N2—Zn—N187.1 (2)N2—Zn—Cl1110.38 (19)
N2—Zn—Cl2114.97 (19)N1—Zn—Cl1109.88 (18)
N1—Zn—Cl2115.24 (18)Cl2—Zn—Cl1115.83 (10)
 

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