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Acta Crystallogr Sect E Struct Rep Online. 2009 July 1; 65(Pt 7): m717.
Published online 2009 June 6. doi:  10.1107/S1600536809019795
PMCID: PMC2969476

Dichloridobis(4-chloro­benzyl-κC)(1,10-phenanthroline-κ2 N,N′)tin(IV)

Abstract

In the crystal structure of the title compound, [Sn(C7H6Cl)2Cl2(C12H8N2)], the SnIV atom is chelated by the N-heterocycle and the metal atom exists in a trans-C2SnCl2N2 distorted octa­hedral coordination environment.

Related literature

Several diorganotin dichloride adducts of 2,2′-bipyridine have been reported. For the diethyl­tin dichloride, dibutyl­tin dichoride and dibenzyl­tin dichloride adducts; see Chadha et al. (1980 [triangle]); Gill et al.(1999 [triangle]); Tiekink et al. (2000 [triangle]). For the structure of di(4-chloro­benzyl­tin) dichloride, see: Kuang & Feng (2000 [triangle]). For the direct synthesis of di(chloro­benz­yl)tin dichlorides, see: Sisido et al. (1961 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-65-0m717-scheme1.jpg

Experimental

Crystal data

  • [Sn(C7H6Cl)2Cl2(C12H8N2)]
  • M r = 620.93
  • Monoclinic, An external file that holds a picture, illustration, etc.
Object name is e-65-0m717-efi1.jpg
  • a = 8.9252 (1) Å
  • b = 17.9987 (3) Å
  • c = 15.6862 (3) Å
  • β = 98.686 (1)°
  • V = 2490.96 (7) Å3
  • Z = 4
  • Mo Kα radiation
  • μ = 1.47 mm−1
  • T = 119 K
  • 0.40 × 0.10 × 0.10 mm

Data collection

  • Bruker SMART APEX diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996 [triangle]) T min = 0.590, T max = 0.867
  • 16905 measured reflections
  • 5681 independent reflections
  • 4826 reflections with I > 2σ(I)
  • R int = 0.021

Refinement

  • R[F 2 > 2σ(F 2)] = 0.023
  • wR(F 2) = 0.062
  • S = 1.05
  • 5681 reflections
  • 298 parameters
  • H-atom parameters constrained
  • Δρmax = 0.53 e Å−3
  • Δρmin = −0.44 e Å−3

Data collection: APEX2 (Bruker, 2007 [triangle]); cell refinement: SAINT (Bruker, 2007 [triangle]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: X-SEED (Barbour, 2001 [triangle]); software used to prepare material for publication: publCIF (Westrip, 2009 [triangle]).

Table 1
Selected geometric parameters (Å, °)

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809019795/xu2530sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809019795/xu2530Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Acknowledgments

We thank the University of Malaya (RG020/09AFR) for supporting this study.

supplementary crystallographic information

Experimental

Di(p-chlorobenzyl)tin dichloride was synthesized by the reaction of p-chlorobenzyl chloride and metallic tin (Sisido et al., 1961). The reactant (0.5 g, 1.1 mmol) and 1,10-phenanthroline (0.2 g, 1.1 mmol) were heated in chloroform (50 ml) for 1 hour. Faint-yellow crystals separated from the cool solution after a day.

Refinement

Hydrogen atoms were placed at calculated positions (C–H 0.95–0.99 Å) and were treated as riding on their parent atoms, with U(H) set to 1.2 times Ueq(C).

Figures

Fig. 1.
The molecular structure of the title compound with 70% displacement probability ellipsoids. Hydrogen atoms are drawn as spheres of arbitrary radius.

Crystal data

[Sn(C7H6Cl)2Cl2(C12H8N2)]F(000) = 1232
Mr = 620.93Dx = 1.656 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 8381 reflections
a = 8.9252 (1) Åθ = 2.3–28.2°
b = 17.9987 (3) ŵ = 1.47 mm1
c = 15.6862 (3) ÅT = 119 K
β = 98.686 (1)°Prism, yellow
V = 2490.96 (7) Å30.40 × 0.10 × 0.10 mm
Z = 4

Data collection

Bruker SMART APEX diffractometer5681 independent reflections
Radiation source: fine-focus sealed tube4826 reflections with I > 2σ(I)
graphiteRint = 0.021
ω scansθmax = 27.5°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −11→11
Tmin = 0.590, Tmax = 0.867k = −22→23
16905 measured reflectionsl = −20→20

Refinement

Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.023Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.062H-atom parameters constrained
S = 1.05w = 1/[σ2(Fo2) + (0.0286P)2 + 1.4291P] where P = (Fo2 + 2Fc2)/3
5681 reflections(Δ/σ)max = 0.001
298 parametersΔρmax = 0.53 e Å3
0 restraintsΔρmin = −0.44 e Å3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

xyzUiso*/Ueq
Sn10.668417 (16)0.554696 (8)0.795225 (9)0.02121 (5)
Cl10.84702 (8)0.57955 (4)0.35794 (4)0.04106 (15)
Cl21.35725 (11)0.75339 (6)0.97376 (6)0.0765 (3)
Cl30.42667 (7)0.52254 (3)0.85279 (4)0.03635 (14)
Cl40.82575 (7)0.43941 (3)0.81282 (4)0.03295 (13)
N10.5902 (2)0.67771 (10)0.75699 (12)0.0231 (4)
N20.8592 (2)0.61534 (10)0.73338 (12)0.0232 (4)
C10.7565 (3)0.59581 (14)0.92228 (15)0.0302 (5)
H1A0.68110.63040.94050.036*
H1B0.76630.55330.96280.036*
C20.9049 (3)0.63463 (13)0.93108 (14)0.0291 (5)
C31.0409 (3)0.59536 (13)0.94752 (15)0.0313 (5)
H3A1.03820.54270.95030.038*
C41.1800 (3)0.63119 (16)0.95997 (17)0.0399 (6)
H4A1.27160.60370.97250.048*
C51.1823 (4)0.70741 (17)0.95385 (17)0.0444 (7)
C61.0518 (4)0.74826 (15)0.93470 (18)0.0499 (8)
H6A1.05600.80070.92920.060*
C70.9140 (3)0.71175 (14)0.92356 (16)0.0399 (6)
H7A0.82320.73980.91050.048*
C80.5528 (2)0.51792 (13)0.67136 (15)0.0259 (5)
H8A0.53660.46360.67460.031*
H8B0.45160.54160.66150.031*
C90.6284 (2)0.53300 (12)0.59490 (14)0.0236 (4)
C100.7343 (3)0.48429 (13)0.56968 (15)0.0281 (5)
H10A0.76040.44060.60250.034*
C110.8025 (3)0.49820 (13)0.49766 (15)0.0294 (5)
H11A0.87380.46410.48080.035*
C120.7655 (3)0.56232 (13)0.45046 (15)0.0290 (5)
C130.6620 (3)0.61251 (13)0.47410 (15)0.0301 (5)
H13A0.63780.65660.44160.036*
C140.5942 (3)0.59752 (13)0.54598 (15)0.0281 (5)
H14A0.52280.63180.56250.034*
C150.6868 (2)0.71888 (11)0.71740 (14)0.0221 (4)
C160.4601 (3)0.70774 (13)0.77128 (15)0.0277 (5)
H16A0.39330.67900.79980.033*
C170.4182 (3)0.78056 (13)0.74554 (17)0.0334 (5)
H17A0.32490.80070.75690.040*
C180.5130 (3)0.82184 (13)0.70422 (16)0.0325 (5)
H18A0.48460.87070.68520.039*
C190.6528 (3)0.79239 (12)0.68953 (15)0.0281 (5)
C200.7614 (3)0.83310 (13)0.64909 (15)0.0346 (6)
H20A0.73880.88250.62990.041*
C210.8942 (3)0.80256 (14)0.63798 (15)0.0337 (6)
H21A0.96430.83080.61140.040*
C220.9325 (3)0.72786 (13)0.66552 (14)0.0282 (5)
C231.0714 (3)0.69379 (16)0.65643 (16)0.0348 (6)
H23A1.14430.71990.62970.042*
C241.1010 (3)0.62301 (15)0.68614 (16)0.0356 (6)
H24A1.19480.59980.68100.043*
C250.9913 (3)0.58531 (14)0.72420 (15)0.0288 (5)
H25A1.01240.53610.74430.035*
C260.8288 (2)0.68613 (12)0.70487 (14)0.0231 (4)

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Sn10.02126 (8)0.01781 (8)0.02478 (8)0.00048 (6)0.00414 (6)−0.00034 (6)
Cl10.0462 (4)0.0487 (4)0.0299 (3)−0.0001 (3)0.0111 (3)0.0010 (3)
Cl20.0833 (6)0.0975 (7)0.0515 (5)−0.0638 (6)0.0192 (5)−0.0244 (5)
Cl30.0361 (3)0.0285 (3)0.0493 (4)−0.0040 (2)0.0220 (3)−0.0024 (3)
Cl40.0322 (3)0.0230 (3)0.0424 (3)0.0073 (2)0.0017 (3)0.0020 (2)
N10.0221 (9)0.0201 (9)0.0271 (10)−0.0018 (7)0.0033 (8)−0.0027 (7)
N20.0204 (9)0.0261 (10)0.0226 (9)−0.0026 (7)0.0019 (7)−0.0039 (7)
C10.0345 (13)0.0315 (12)0.0244 (11)0.0055 (10)0.0041 (10)−0.0019 (10)
C20.0420 (14)0.0268 (12)0.0179 (11)−0.0005 (10)0.0033 (10)−0.0027 (9)
C30.0388 (13)0.0265 (12)0.0287 (12)−0.0032 (10)0.0053 (10)−0.0051 (10)
C40.0391 (14)0.0490 (16)0.0327 (14)−0.0081 (12)0.0083 (12)−0.0129 (12)
C50.0597 (19)0.0497 (17)0.0246 (13)−0.0293 (15)0.0090 (13)−0.0113 (12)
C60.087 (2)0.0287 (14)0.0304 (14)−0.0172 (15)−0.0030 (15)−0.0025 (11)
C70.0597 (18)0.0270 (13)0.0296 (13)0.0023 (12)−0.0038 (12)−0.0051 (10)
C80.0195 (10)0.0280 (12)0.0296 (12)−0.0026 (9)0.0018 (9)−0.0041 (9)
C90.0186 (10)0.0264 (11)0.0237 (11)−0.0024 (8)−0.0037 (9)−0.0047 (9)
C100.0253 (11)0.0274 (12)0.0298 (12)0.0006 (9)−0.0015 (10)−0.0026 (9)
C110.0244 (11)0.0325 (12)0.0304 (12)0.0031 (9)0.0015 (10)−0.0047 (10)
C120.0266 (11)0.0369 (13)0.0227 (11)−0.0023 (10)0.0004 (9)−0.0024 (10)
C130.0303 (12)0.0295 (12)0.0275 (12)0.0033 (10)−0.0052 (10)0.0006 (10)
C140.0263 (11)0.0272 (12)0.0290 (12)0.0049 (9)−0.0019 (9)−0.0043 (9)
C150.0269 (11)0.0198 (10)0.0186 (10)−0.0044 (8)0.0004 (8)−0.0030 (8)
C160.0256 (11)0.0242 (11)0.0336 (13)0.0000 (9)0.0053 (10)−0.0026 (9)
C170.0349 (13)0.0254 (12)0.0396 (14)0.0061 (10)0.0042 (11)−0.0042 (10)
C180.0448 (14)0.0188 (11)0.0326 (13)0.0041 (10)0.0016 (11)0.0003 (9)
C190.0387 (13)0.0200 (11)0.0247 (11)−0.0039 (9)0.0018 (10)−0.0028 (9)
C200.0540 (16)0.0229 (12)0.0271 (12)−0.0084 (11)0.0072 (11)0.0010 (9)
C210.0447 (15)0.0321 (13)0.0248 (12)−0.0179 (11)0.0072 (11)−0.0028 (10)
C220.0311 (12)0.0347 (13)0.0186 (11)−0.0118 (10)0.0030 (9)−0.0041 (9)
C230.0262 (12)0.0531 (16)0.0260 (12)−0.0147 (11)0.0066 (10)−0.0045 (11)
C240.0233 (11)0.0501 (16)0.0341 (13)−0.0029 (11)0.0070 (10)−0.0070 (12)
C250.0233 (11)0.0351 (12)0.0280 (12)0.0001 (10)0.0036 (9)−0.0055 (10)
C260.0250 (11)0.0245 (11)0.0190 (10)−0.0059 (9)0.0011 (8)−0.0045 (8)

Geometric parameters (Å, °)

Sn1—C12.160 (2)C9—C141.400 (3)
Sn1—C82.162 (2)C10—C111.385 (3)
Sn1—N12.3712 (18)C10—H10A0.9500
Sn1—N22.3515 (18)C11—C121.384 (3)
Sn1—Cl32.5287 (6)C11—H11A0.9500
Sn1—Cl42.4973 (6)C12—C131.382 (3)
Cl1—C121.747 (2)C13—C141.385 (3)
Cl2—C51.753 (3)C13—H13A0.9500
N1—C161.330 (3)C14—H14A0.9500
N1—C151.356 (3)C15—C191.412 (3)
N2—C251.325 (3)C15—C261.438 (3)
N2—C261.364 (3)C16—C171.405 (3)
C1—C21.486 (3)C16—H16A0.9500
C1—H1A0.9900C17—C181.361 (4)
C1—H1B0.9900C17—H17A0.9500
C2—C31.394 (3)C18—C191.406 (3)
C2—C71.397 (3)C18—H18A0.9500
C3—C41.386 (4)C19—C201.437 (3)
C3—H3A0.9500C20—C211.342 (4)
C4—C51.376 (4)C20—H20A0.9500
C4—H4A0.9500C21—C221.437 (4)
C5—C61.372 (4)C21—H21A0.9500
C6—C71.382 (4)C22—C261.405 (3)
C6—H6A0.9500C22—C231.410 (3)
C7—H7A0.9500C23—C241.368 (4)
C8—C91.487 (3)C23—H23A0.9500
C8—H8A0.9900C24—C251.397 (3)
C8—H8B0.9900C24—H24A0.9500
C9—C101.390 (3)C25—H25A0.9500
C1—Sn1—C8172.84 (8)C14—C9—C8120.4 (2)
C8—Sn1—N292.78 (7)C11—C10—C9121.3 (2)
C1—Sn1—N292.08 (8)C11—C10—H10A119.3
C8—Sn1—N188.64 (8)C9—C10—H10A119.3
C1—Sn1—N188.03 (8)C10—C11—C12119.3 (2)
N2—Sn1—N170.49 (6)C10—C11—H11A120.4
C8—Sn1—Cl491.67 (6)C12—C11—H11A120.4
C1—Sn1—Cl493.58 (7)C13—C12—C11121.1 (2)
N2—Sn1—Cl490.07 (5)C13—C12—Cl1119.07 (19)
N1—Sn1—Cl4160.55 (5)C11—C12—Cl1119.81 (18)
C8—Sn1—Cl386.19 (6)C14—C13—C12118.9 (2)
C1—Sn1—Cl387.72 (7)C14—C13—H13A120.6
N2—Sn1—Cl3164.47 (5)C12—C13—H13A120.6
N1—Sn1—Cl393.99 (5)C13—C14—C9121.5 (2)
Cl4—Sn1—Cl3105.44 (2)C13—C14—H14A119.3
C16—N1—C15119.11 (19)C9—C14—H14A119.3
C16—N1—Sn1124.61 (15)N1—C15—C19122.1 (2)
C15—N1—Sn1116.28 (14)N1—C15—C26118.23 (19)
C25—N2—C26118.79 (19)C19—C15—C26119.6 (2)
C25—N2—Sn1124.56 (16)N1—C16—C17122.1 (2)
C26—N2—Sn1116.65 (14)N1—C16—H16A118.9
C2—C1—Sn1116.24 (15)C17—C16—H16A118.9
C2—C1—H1A108.2C18—C17—C16119.3 (2)
Sn1—C1—H1A108.2C18—C17—H17A120.4
C2—C1—H1B108.2C16—C17—H17A120.4
Sn1—C1—H1B108.2C17—C18—C19120.2 (2)
H1A—C1—H1B107.4C17—C18—H18A119.9
C3—C2—C7117.4 (2)C19—C18—H18A119.9
C3—C2—C1121.2 (2)C18—C19—C15117.2 (2)
C7—C2—C1121.4 (2)C18—C19—C20123.7 (2)
C4—C3—C2121.7 (2)C15—C19—C20119.1 (2)
C4—C3—H3A119.1C21—C20—C19121.1 (2)
C2—C3—H3A119.1C21—C20—H20A119.4
C5—C4—C3118.5 (3)C19—C20—H20A119.4
C5—C4—H4A120.8C20—C21—C22121.2 (2)
C3—C4—H4A120.8C20—C21—H21A119.4
C6—C5—C4121.9 (3)C22—C21—H21A119.4
C6—C5—Cl2119.3 (2)C26—C22—C23117.4 (2)
C4—C5—Cl2118.7 (3)C26—C22—C21119.3 (2)
C5—C6—C7118.9 (3)C23—C22—C21123.3 (2)
C5—C6—H6A120.6C24—C23—C22119.9 (2)
C7—C6—H6A120.6C24—C23—H23A120.1
C6—C7—C2121.6 (3)C22—C23—H23A120.1
C6—C7—H7A119.2C23—C24—C25119.1 (2)
C2—C7—H7A119.2C23—C24—H24A120.5
C9—C8—Sn1117.12 (14)C25—C24—H24A120.5
C9—C8—H8A108.0N2—C25—C24122.7 (2)
Sn1—C8—H8A108.0N2—C25—H25A118.6
C9—C8—H8B108.0C24—C25—H25A118.6
Sn1—C8—H8B108.0N2—C26—C22122.1 (2)
H8A—C8—H8B107.3N2—C26—C15118.27 (19)
C10—C9—C14118.0 (2)C22—C26—C15119.6 (2)
C10—C9—C8121.7 (2)
C8—Sn1—N1—C1688.53 (19)C10—C11—C12—C130.0 (4)
C1—Sn1—N1—C16−85.14 (19)C10—C11—C12—Cl1−178.41 (18)
N2—Sn1—N1—C16−178.0 (2)C11—C12—C13—C14−0.4 (3)
Cl4—Sn1—N1—C16179.68 (13)Cl1—C12—C13—C14178.03 (18)
Cl3—Sn1—N1—C162.44 (18)C12—C13—C14—C90.1 (3)
C8—Sn1—N1—C15−91.05 (16)C10—C9—C14—C130.6 (3)
C1—Sn1—N1—C1595.29 (16)C8—C9—C14—C13−179.4 (2)
N2—Sn1—N1—C152.38 (14)C16—N1—C15—C19−1.0 (3)
Cl4—Sn1—N1—C150.1 (3)Sn1—N1—C15—C19178.60 (16)
Cl3—Sn1—N1—C15−177.13 (15)C16—N1—C15—C26178.2 (2)
C8—Sn1—N2—C25−94.31 (18)Sn1—N1—C15—C26−2.2 (2)
C1—Sn1—N2—C2590.94 (18)C15—N1—C16—C170.9 (3)
N1—Sn1—N2—C25178.12 (19)Sn1—N1—C16—C17−178.64 (17)
Cl4—Sn1—N2—C25−2.64 (17)N1—C16—C17—C180.4 (4)
Cl3—Sn1—N2—C25179.92 (14)C16—C17—C18—C19−1.6 (4)
C8—Sn1—N2—C2685.20 (16)C17—C18—C19—C151.5 (3)
C1—Sn1—N2—C26−89.54 (16)C17—C18—C19—C20−177.8 (2)
N1—Sn1—N2—C26−2.37 (14)N1—C15—C19—C18−0.2 (3)
Cl4—Sn1—N2—C26176.87 (15)C26—C15—C19—C18−179.4 (2)
Cl3—Sn1—N2—C26−0.6 (3)N1—C15—C19—C20179.1 (2)
N2—Sn1—C1—C2−8.28 (18)C26—C15—C19—C200.0 (3)
N1—Sn1—C1—C2−78.67 (18)C18—C19—C20—C21178.9 (2)
Cl4—Sn1—C1—C281.92 (17)C15—C19—C20—C21−0.4 (4)
Cl3—Sn1—C1—C2−172.74 (18)C19—C20—C21—C220.4 (4)
Sn1—C1—C2—C3−86.5 (2)C20—C21—C22—C260.0 (3)
Sn1—C1—C2—C793.7 (2)C20—C21—C22—C23−179.0 (2)
C7—C2—C3—C42.9 (4)C26—C22—C23—C24−0.5 (3)
C1—C2—C3—C4−176.9 (2)C21—C22—C23—C24178.4 (2)
C2—C3—C4—C5−1.5 (4)C22—C23—C24—C250.8 (4)
C3—C4—C5—C6−0.9 (4)C26—N2—C25—C24−0.3 (3)
C3—C4—C5—Cl2177.49 (19)Sn1—N2—C25—C24179.23 (17)
C4—C5—C6—C71.8 (4)C23—C24—C25—N2−0.4 (4)
Cl2—C5—C6—C7−176.7 (2)C25—N2—C26—C220.5 (3)
C5—C6—C7—C2−0.2 (4)Sn1—N2—C26—C22−179.00 (16)
C3—C2—C7—C6−2.1 (4)C25—N2—C26—C15−178.26 (19)
C1—C2—C7—C6177.7 (2)Sn1—N2—C26—C152.2 (2)
N2—Sn1—C8—C95.87 (17)C23—C22—C26—N2−0.1 (3)
N1—Sn1—C8—C976.26 (17)C21—C22—C26—N2−179.2 (2)
Cl4—Sn1—C8—C9−84.29 (17)C23—C22—C26—C15178.7 (2)
Cl3—Sn1—C8—C9170.35 (17)C21—C22—C26—C15−0.4 (3)
Sn1—C8—C9—C1086.7 (2)N1—C15—C26—N20.0 (3)
Sn1—C8—C9—C14−93.2 (2)C19—C15—C26—N2179.24 (19)
C14—C9—C10—C11−1.0 (3)N1—C15—C26—C22−178.8 (2)
C8—C9—C10—C11179.0 (2)C19—C15—C26—C220.4 (3)
C9—C10—C11—C120.7 (3)

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU2530).

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