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The title compound, [Sn(CH3)3(C16H12ClO3)]n, forms polymeric chains incorporating both O atoms of the propenoate ligand. The coordination geometry around the Sn atom is distorted trigonal bipyramidal. The three methyl C atoms occupy the equatorial positions with almost identical Sn—C distances [2.115 (3)–2.120 (3) Å] and O atoms from two symmetry-related ligands are in the axial positions with significantly different Sn—O distances [2.150 (2) and 2.430 (2) Å].

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804015314/lh6235sup1.cif
Contains datablocks Global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804015314/lh6235Isup2.hkl
Contains datablock I

CCDC reference: 248719

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.030
  • wR factor = 0.075
  • Data-to-parameter ratio = 19.5

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... O1
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 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

Computing details top

Data collection: COLLECT (Hooft, 1998); cell refinement: HKL DENZO (Otwinowski & Minor, 1997); data reduction: SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SAPI91 (Fan, 1991); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

catena-Poly[[trimethyltin(IV)]-µ-2-(4-chlorophenyl)-3-(4-methoxyphenyl) -propenoato-κ2O:O'], top
Crystal data top
[Sn(CH3)3(C16H12ClO3)]F(000) = 904
Mr = 451.50Dx = 1.587 Mg m3
Monoclinic, P21/cMelting point: 399-401 K K
Hall symbol: -P 2ybcMo Kα radiation, λ = 0.71073 Å
a = 9.512 (2) ÅCell parameters from 7498 reflections
b = 10.424 (2) Åθ = 3.3–27.5°
c = 19.421 (4) ŵ = 1.51 mm1
β = 101.118 (14)°T = 173 K
V = 1889.5 (7) Å3Block, colorless
Z = 40.14 × 0.14 × 0.09 mm
Data collection top
Nonius KappaCCD
diffractometer
4314 independent reflections
Radiation source: fine-focus sealed tube3546 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.027
ω and φ scansθmax = 27.5°, θmin = 3.3°
Absorption correction: multi-scan
(SORTAV; Blessing, 1997)
h = 1212
Tmin = 0.817, Tmax = 0.876k = 1313
7498 measured reflectionsl = 2525
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)] = 0.030Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.075H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0378P)2 + 0.4627P]
where P = (Fo2 + 2Fc2)/3
4314 reflections(Δ/σ)max = 0.001
221 parametersΔρmax = 1.04 e Å3
0 restraintsΔρmin = 0.76 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Sn10.483173 (18)0.284904 (16)0.236351 (8)0.02404 (8)
Cl10.22030 (9)1.11811 (7)0.01816 (4)0.04398 (19)
O10.4141 (2)0.41074 (18)0.14861 (9)0.0414 (5)
O20.4456 (2)0.61528 (18)0.17821 (9)0.0378 (5)
O30.0766 (2)0.5040 (2)0.25098 (10)0.0460 (5)
C10.3453 (3)0.1467 (3)0.17871 (14)0.0358 (6)
H1A0.38540.11810.13840.054*
H1B0.25080.18500.16200.054*
H1C0.33610.07320.20900.054*
C20.4088 (3)0.3880 (3)0.31636 (13)0.0315 (6)
H2A0.48230.38660.35930.047*
H2B0.32090.34800.32540.047*
H2C0.38890.47700.30130.047*
C30.7004 (3)0.2891 (3)0.22600 (16)0.0393 (7)
H3A0.74410.20500.23840.059*
H3B0.75170.35460.25740.059*
H3C0.70620.30960.17740.059*
C40.4012 (3)0.5302 (2)0.13597 (12)0.0257 (5)
C50.3235 (3)0.5649 (2)0.06277 (12)0.0233 (5)
C60.3006 (3)0.7036 (2)0.04537 (12)0.0232 (5)
C70.3706 (3)0.7601 (3)0.00363 (14)0.0274 (6)
H70.43560.71050.02410.033*
C80.3471 (3)0.8876 (3)0.02305 (14)0.0327 (6)
H80.39520.92540.05650.039*
C90.2531 (3)0.9580 (2)0.00707 (13)0.0307 (6)
C100.1819 (3)0.9051 (3)0.05580 (13)0.0327 (6)
H100.11620.95510.07560.039*
C110.2075 (3)0.7782 (2)0.07555 (14)0.0297 (6)
H110.16100.74180.11000.036*
C120.2818 (3)0.4715 (2)0.01621 (12)0.0265 (5)
H120.31400.38750.03020.032*
C130.1916 (3)0.4834 (2)0.05431 (12)0.0273 (6)
C140.0741 (3)0.5665 (3)0.06851 (13)0.0318 (6)
H140.05460.62210.03270.038*
C150.0138 (3)0.5687 (3)0.13400 (14)0.0350 (6)
H150.09490.62370.14250.042*
C160.0158 (3)0.4910 (3)0.18743 (13)0.0322 (6)
C170.1297 (3)0.4074 (3)0.17468 (13)0.0335 (6)
H170.14960.35330.21100.040*
C180.2159 (3)0.4028 (3)0.10791 (13)0.0291 (6)
H180.29290.34330.09880.035*
C190.0401 (4)0.4399 (4)0.30948 (14)0.0552 (10)
H19A0.05550.46710.31540.083*
H19B0.11020.46130.35180.083*
H19C0.04030.34700.30170.083*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn10.03089 (12)0.01848 (11)0.02058 (11)0.00063 (7)0.00046 (7)0.00023 (6)
Cl10.0664 (5)0.0198 (3)0.0402 (4)0.0004 (3)0.0037 (3)0.0053 (3)
O10.0709 (15)0.0229 (10)0.0245 (9)0.0053 (10)0.0055 (9)0.0040 (8)
O20.0539 (13)0.0266 (10)0.0269 (9)0.0029 (9)0.0068 (9)0.0056 (8)
O30.0377 (12)0.0674 (15)0.0274 (10)0.0017 (11)0.0075 (8)0.0034 (10)
C10.0398 (16)0.0273 (15)0.0355 (14)0.0009 (13)0.0051 (12)0.0030 (12)
C20.0394 (16)0.0250 (14)0.0304 (13)0.0024 (12)0.0070 (11)0.0004 (11)
C30.0393 (17)0.0408 (19)0.0392 (16)0.0002 (13)0.0110 (13)0.0011 (13)
C40.0311 (14)0.0224 (13)0.0231 (11)0.0017 (11)0.0041 (10)0.0010 (11)
C50.0259 (13)0.0208 (12)0.0223 (11)0.0002 (10)0.0026 (9)0.0027 (10)
C60.0287 (14)0.0204 (13)0.0180 (11)0.0021 (10)0.0014 (9)0.0001 (9)
C70.0289 (14)0.0257 (13)0.0267 (13)0.0016 (11)0.0035 (11)0.0028 (11)
C80.0382 (16)0.0293 (15)0.0293 (14)0.0051 (12)0.0038 (11)0.0066 (11)
C90.0436 (16)0.0184 (13)0.0246 (12)0.0008 (12)0.0071 (11)0.0024 (11)
C100.0434 (16)0.0243 (14)0.0293 (13)0.0062 (12)0.0045 (12)0.0039 (11)
C110.0389 (16)0.0259 (15)0.0245 (13)0.0007 (12)0.0068 (11)0.0003 (10)
C120.0326 (14)0.0205 (13)0.0250 (12)0.0013 (11)0.0018 (10)0.0023 (11)
C130.0344 (15)0.0220 (13)0.0237 (12)0.0033 (11)0.0014 (10)0.0000 (10)
C140.0356 (15)0.0300 (15)0.0288 (13)0.0016 (12)0.0039 (11)0.0023 (11)
C150.0293 (15)0.0375 (16)0.0357 (14)0.0052 (12)0.0000 (11)0.0044 (12)
C160.0303 (15)0.0392 (16)0.0235 (12)0.0061 (12)0.0040 (10)0.0076 (12)
C170.0421 (17)0.0357 (16)0.0221 (12)0.0023 (13)0.0048 (11)0.0011 (11)
C180.0382 (15)0.0231 (13)0.0242 (12)0.0030 (11)0.0014 (11)0.0036 (11)
C190.0415 (19)0.099 (3)0.0225 (13)0.0057 (19)0.0012 (12)0.0056 (17)
Geometric parameters (Å, º) top
Sn1—C32.115 (3)C6—C71.393 (3)
Sn1—C12.117 (3)C7—C81.387 (4)
Sn1—C22.120 (3)C7—H70.9500
Sn1—O12.150 (2)C8—C91.372 (4)
Sn1—O2i2.430 (2)C8—H80.9500
Cl1—C91.751 (3)C9—C101.380 (4)
O1—C41.270 (3)C10—C111.386 (4)
O2—C41.227 (3)C10—H100.9500
O2—Sn1ii2.430 (2)C11—H110.9500
O3—C161.377 (3)C12—C131.474 (3)
O3—C191.418 (4)C12—H120.9500
C1—H1A0.9800C13—C181.391 (4)
C1—H1B0.9800C13—C141.399 (4)
C1—H1C0.9800C14—C151.381 (4)
C2—H2A0.9800C14—H140.9500
C2—H2B0.9800C15—C161.387 (4)
C2—H2C0.9800C15—H150.9500
C3—H3A0.9800C16—C171.375 (4)
C3—H3B0.9800C17—C181.395 (4)
C3—H3C0.9800C17—H170.9500
C4—C51.514 (3)C18—H180.9500
C5—C121.336 (3)C19—H19A0.9800
C5—C61.492 (3)C19—H19B0.9800
C6—C111.390 (4)C19—H19C0.9800
C3—Sn1—C1118.73 (12)C8—C7—H7119.4
C3—Sn1—C2121.97 (12)C6—C7—H7119.4
C1—Sn1—C2118.20 (11)C9—C8—C7118.7 (2)
C3—Sn1—O193.83 (11)C9—C8—H8120.7
C1—Sn1—O186.13 (10)C7—C8—H8120.7
C2—Sn1—O1100.23 (9)C8—C9—C10121.7 (2)
C3—Sn1—O2i86.05 (10)C8—C9—Cl1119.1 (2)
C1—Sn1—O2i85.91 (9)C10—C9—Cl1119.2 (2)
C2—Sn1—O2i87.52 (9)C9—C10—C11119.2 (3)
O1—Sn1—O2i170.85 (7)C9—C10—H10120.4
C4—O1—Sn1139.0 (2)C11—C10—H10120.4
C4—O2—Sn1ii176.0 (2)C10—C11—C6120.6 (2)
C16—O3—C19117.3 (2)C10—C11—H11119.7
Sn1—C1—H1A109.5C6—C11—H11119.7
Sn1—C1—H1B109.5C5—C12—C13127.7 (2)
H1A—C1—H1B109.5C5—C12—H12116.2
Sn1—C1—H1C109.5C13—C12—H12116.2
H1A—C1—H1C109.5C18—C13—C14117.9 (2)
H1B—C1—H1C109.5C18—C13—C12119.6 (2)
Sn1—C2—H2A109.5C14—C13—C12122.3 (2)
Sn1—C2—H2B109.5C15—C14—C13120.7 (3)
H2A—C2—H2B109.5C15—C14—H14119.7
Sn1—C2—H2C109.5C13—C14—H14119.7
H2A—C2—H2C109.5C14—C15—C16120.3 (3)
H2B—C2—H2C109.5C14—C15—H15119.8
Sn1—C3—H3A109.5C16—C15—H15119.8
Sn1—C3—H3B109.5C17—C16—O3124.6 (3)
H3A—C3—H3B109.5C17—C16—C15120.1 (2)
Sn1—C3—H3C109.5O3—C16—C15115.2 (3)
H3A—C3—H3C109.5C16—C17—C18119.4 (3)
H3B—C3—H3C109.5C16—C17—H17120.3
O2—C4—O1124.8 (2)C18—C17—H17120.3
O2—C4—C5119.9 (2)C13—C18—C17121.5 (3)
O1—C4—C5115.3 (2)C13—C18—H18119.3
C12—C5—C6122.8 (2)C17—C18—H18119.3
C12—C5—C4119.3 (2)O3—C19—H19A109.5
C6—C5—C4117.9 (2)O3—C19—H19B109.5
C11—C6—C7118.6 (2)H19A—C19—H19B109.5
C11—C6—C5121.6 (2)O3—C19—H19C109.5
C7—C6—C5119.8 (2)H19A—C19—H19C109.5
C8—C7—C6121.2 (2)H19B—C19—H19C109.5
C3—Sn1—O1—C487.5 (3)C9—C10—C11—C61.8 (4)
C1—Sn1—O1—C4153.9 (3)C7—C6—C11—C101.8 (4)
C2—Sn1—O1—C436.0 (3)C5—C6—C11—C10176.5 (2)
Sn1—O1—C4—O28.3 (5)C6—C5—C12—C139.3 (4)
Sn1—O1—C4—C5171.3 (2)C4—C5—C12—C13172.5 (2)
O2—C4—C5—C12176.8 (2)C5—C12—C13—C18146.6 (3)
O1—C4—C5—C123.6 (4)C5—C12—C13—C1438.6 (4)
O2—C4—C5—C61.5 (4)C18—C13—C14—C150.5 (4)
O1—C4—C5—C6178.1 (2)C12—C13—C14—C15175.5 (3)
C12—C5—C6—C11112.9 (3)C13—C14—C15—C162.0 (4)
C4—C5—C6—C1168.8 (3)C19—O3—C16—C179.1 (4)
C12—C5—C6—C765.3 (4)C19—O3—C16—C15171.7 (3)
C4—C5—C6—C7112.9 (3)C14—C15—C16—C172.6 (4)
C11—C6—C7—C80.9 (4)C14—C15—C16—O3178.1 (3)
C5—C6—C7—C8177.4 (2)O3—C16—C17—C18180.0 (3)
C6—C7—C8—C90.0 (4)C15—C16—C17—C180.7 (4)
C7—C8—C9—C100.0 (4)C14—C13—C18—C172.4 (4)
C7—C8—C9—Cl1178.9 (2)C12—C13—C18—C17177.5 (2)
C8—C9—C10—C110.9 (4)C16—C17—C18—C131.8 (4)
Cl1—C9—C10—C11179.8 (2)
Symmetry codes: (i) x+1, y1/2, z+1/2; (ii) x+1, y+1/2, z+1/2.
 

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