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Acta Crystallogr Sect E Struct Rep Online. 2008 September 1; 64(Pt 9): m1120.
Published online 2008 August 6. doi:  10.1107/S1600536808024343
PMCID: PMC2960574

Low-temperature redetermination of aqua­chloridotriphenyl­tin(IV)–1,10-phenanthroline (1/1)

Abstract

The crystal structure of the title compound, [Sn(C6H5)3Cl(H2O)]·C12H8N2, which was refined in the triclinic space group P An external file that holds a picture, illustration, etc.
Object name is e-64-m1120-efi1.jpg [Fu, Gao, Ma & Zhang (2005 [triangle]). Chin. J. Synth. Chem. 13, 55–57], has been redetermined in the monoclinic space group C2/c from low-temperature diffraction measurements. The Sn atom is five-coordinate in a trans-C3SnClO trigonal-bipyramidal geometry; the coordinated water mol­ecule forms a pair of hydrogen bonds to the nitro­gen heterocycle.

Related literature

For a description of the title compound in the triclinic space group P An external file that holds a picture, illustration, etc.
Object name is e-64-m1120-efi1.jpg, see: Fu et al. (2005 [triangle]). Aqua­chlorido­tri(p-chloro­phen­yl)tin.1,10-phenanthroline exists as a hydrogen-bonded dinuclear compound, see: Ng & Kumar Das (1996 [triangle]). This study also mentions the existence of a monoclinic P21/c modification of the title compound. This modification is, in fact, commensurately modulated; see: Rae et al. (2005 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-64-m1120-scheme1.jpg

Experimental

Crystal data

  • [Sn(C6H5)3Cl(H2O)]·C12H8N2
  • M r = 583.66
  • Monoclinic, An external file that holds a picture, illustration, etc.
Object name is e-64-m1120-efi3.jpg
  • a = 16.3739 (2) Å
  • b = 17.3120 (2) Å
  • c = 18.4295 (2) Å
  • β = 105.602 (1)°
  • V = 5031.6 (1) Å3
  • Z = 8
  • Mo Kα radiation
  • μ = 1.15 mm−1
  • T = 100 (2) K
  • 0.30 × 0.20 × 0.10 mm

Data collection

  • Bruker SMART APEX diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996 [triangle]) T min = 0.768, T max = 0.894
  • 23117 measured reflections
  • 5746 independent reflections
  • 5333 reflections with I > 2σ(I)
  • R int = 0.015

Refinement

  • R[F 2 > 2σ(F 2)] = 0.020
  • wR(F 2) = 0.052
  • S = 1.01
  • 5746 reflections
  • 324 parameters
  • 2 restraints
  • H atoms treated by a mixture of independent and constrained refinement
  • Δρmax = 0.72 e Å−3
  • Δρmin = −0.60 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, 2008 [triangle]).

Table 1
Hydrogen-bond geometry (Å, °)

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808024343/tk2288sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808024343/tk2288Isup2.hkl

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

Acknowledgments

The University of Malaya is thanked for supporting this study through the purchase of the diffractometer.

supplementary crystallographic information

Comment

Interest in aquachlorotriphenyltin.1,10-phenanthroline (Scheme I) involves the existence of a monoclinic P21/c modification [11.960 (1), 12.220 (1), 17.854 (1) Å, β 92.41 (1) °] (Ng & Kumar Das, 1996) that is, in fact, commensurately modulated in P21/n [21.1053 (5), 12.2347 (3), 51.772 (2) Å,101.525 (2) °] (Rae et al., 2005). The compound has the coordinated water molecules of two aquachlorotriphenyltin entities each forming hydrogen bonds to two N-heterocycles. A reported triclinic modification (Fu et al., 2005) has an unit cell [P1: 12.064 (4), 12.075 (4), 18.603 (6) Å, 89.562 (6), 99.567 (5), 72.702 (5) °; V 2672 (5) Å3] that readily transforms to a monoclinic C2/c unit cell. In the correct symmetry, the tin atom is five-coordinate in a trans-C3SnClO trigonal bipyramidal geometry; the coordinated water molecule forms a pair of hydrogen bonds to one N-heterocycle only (Fig. 1, Table 1).

Experimental

Triphenyltin chloride (0.39 g, 1 mmol) and 1,10-phenanthroline monohydrate (0.20 g, 1 mmol) were dissolved in hot ethanol (10 ml). Crystals of the compound separated after a day.

Refinement

The carbon-bound hydrogen atoms were placed at calculated positions with C—H = 0.95 Å, and with U(H) = 1.2Ueq(C). The water H-atoms were refined with a distance restraint of O—H 0.84±0.01 Å.

Figures

Fig. 1.
Thermal ellipsoid plot (Barbour, 2001) plot of monoclinic SnCl(H2O)(C6H5)3.C12H8N2 at the 70% probability level. Hydrogen atoms are drawn as spheres of arbitrary radius. Hydrogen bonds are shown as dashed lines.

Crystal data

[Sn(C6H5)3Cl(H2O)]·C12H8N2F000 = 2352
Mr = 583.66Dx = 1.541 Mg m3
Monoclinic, C2/cMo Kα radiation λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 9047 reflections
a = 16.3739 (2) Åθ = 2.3–28.3º
b = 17.3120 (2) ŵ = 1.15 mm1
c = 18.4295 (2) ÅT = 100 (2) K
β = 105.602 (1)ºBlock, colorless
V = 5031.6 (1) Å30.30 × 0.20 × 0.10 mm
Z = 8

Data collection

Bruker SMART APEX diffractometer5333 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.015
Monochromator: graphiteθmax = 27.5º
ω scansθmin = 1.8º
Absorption correction: Multi-scan(SADABS; Sheldrick, 1996)h = −21→21
Tmin = 0.768, Tmax = 0.894k = −22→22
23117 measured reflectionsl = −22→23
5746 independent reflections

Refinement

Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.020H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.052  w = 1/[σ2(Fo2) + (0.0231P)2 + 10.9613P] where P = (Fo2 + 2Fc2)/3
S = 1.01(Δ/σ)max = 0.001
5746 reflectionsΔρmax = 0.72 e Å3
324 parametersΔρmin = −0.60 e Å3
2 restraintsExtinction correction: none
Primary atom site location: structure-invariant direct methods

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

xyzUiso*/Ueq
Sn10.283489 (7)0.505787 (6)0.562615 (6)0.01482 (4)
Cl10.18859 (3)0.44885 (2)0.44433 (2)0.02027 (8)
O10.37284 (8)0.56254 (7)0.67064 (7)0.0195 (2)
H1O0.3578 (17)0.6082 (8)0.6762 (16)0.050 (8)*
H2O0.4223 (9)0.5695 (16)0.6674 (16)0.053 (8)*
N10.36099 (9)0.71863 (8)0.67875 (8)0.0188 (3)
N20.50883 (9)0.65084 (9)0.65883 (8)0.0216 (3)
C10.34419 (10)0.58146 (9)0.50254 (9)0.0172 (3)
C20.40237 (12)0.55391 (11)0.46606 (11)0.0264 (4)
H20.41150.49990.46360.032*
C30.44752 (13)0.60528 (14)0.43296 (12)0.0343 (5)
H30.48720.58610.40810.041*
C40.43462 (13)0.68404 (13)0.43620 (12)0.0330 (5)
H40.46620.71890.41460.040*
C50.37588 (13)0.71172 (11)0.47086 (11)0.0287 (4)
H50.36620.76570.47230.034*
C60.33064 (12)0.66094 (10)0.50385 (10)0.0214 (3)
H60.29010.68060.52750.026*
C70.33380 (10)0.39676 (9)0.60801 (10)0.0179 (3)
C80.36605 (13)0.38717 (11)0.68536 (11)0.0274 (4)
H80.37160.43060.71780.033*
C90.39024 (15)0.31425 (13)0.71554 (13)0.0366 (5)
H90.41200.30820.76850.044*
C100.38270 (13)0.25093 (11)0.66890 (13)0.0331 (5)
H100.39820.20120.68980.040*
C110.35274 (12)0.25958 (10)0.59211 (13)0.0292 (4)
H110.34930.21610.56000.035*
C120.32755 (11)0.33198 (10)0.56158 (11)0.0218 (3)
H120.30590.33750.50860.026*
C130.18329 (10)0.54725 (9)0.60574 (10)0.0178 (3)
C140.19228 (12)0.54833 (10)0.68337 (10)0.0217 (3)
H140.24440.53270.71710.026*
C150.12560 (13)0.57213 (10)0.71168 (11)0.0264 (4)
H150.13210.57240.76450.032*
C160.04974 (13)0.59533 (11)0.66251 (12)0.0292 (4)
H160.00430.61170.68180.035*
C170.03984 (12)0.59478 (11)0.58568 (12)0.0281 (4)
H17−0.01220.61100.55220.034*
C180.10621 (11)0.57037 (10)0.55742 (11)0.0222 (3)
H180.09890.56940.50450.027*
C190.29276 (11)0.75240 (11)0.68954 (10)0.0226 (4)
H190.24980.72040.69940.027*
C200.27997 (12)0.83268 (11)0.68733 (11)0.0273 (4)
H200.23010.85430.69590.033*
C210.34104 (13)0.87859 (11)0.67250 (11)0.0282 (4)
H210.33400.93310.67040.034*
C220.41470 (12)0.84523 (10)0.66025 (10)0.0234 (4)
C230.42300 (11)0.76392 (10)0.66440 (9)0.0184 (3)
C240.47983 (13)0.89168 (11)0.64384 (11)0.0300 (4)
H240.47370.94630.64130.036*
C250.54943 (13)0.85914 (12)0.63203 (11)0.0309 (4)
H250.59150.89100.62060.037*
C260.56146 (12)0.77707 (12)0.63629 (10)0.0257 (4)
C270.49893 (11)0.72867 (10)0.65276 (9)0.0201 (3)
C280.63516 (12)0.74201 (14)0.62609 (11)0.0326 (5)
H280.67810.77270.61450.039*
C290.64472 (13)0.66405 (14)0.63288 (11)0.0346 (5)
H290.69420.63950.62650.042*
C300.57960 (12)0.62074 (12)0.64960 (11)0.0283 (4)
H300.58680.56640.65460.034*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Sn10.01639 (6)0.01177 (6)0.01746 (6)−0.00055 (4)0.00652 (4)−0.00002 (4)
Cl10.02075 (19)0.01617 (18)0.0221 (2)−0.00109 (14)0.00273 (15)−0.00226 (14)
O10.0198 (6)0.0156 (6)0.0235 (6)−0.0023 (5)0.0066 (5)−0.0015 (5)
N10.0187 (7)0.0197 (7)0.0170 (7)−0.0021 (5)0.0033 (6)−0.0004 (5)
N20.0213 (7)0.0260 (7)0.0176 (7)0.0007 (6)0.0051 (6)−0.0019 (6)
C10.0168 (8)0.0183 (8)0.0160 (8)−0.0034 (6)0.0033 (6)0.0001 (6)
C20.0241 (9)0.0281 (9)0.0296 (10)0.0026 (7)0.0118 (8)0.0030 (7)
C30.0222 (9)0.0508 (13)0.0341 (11)−0.0009 (9)0.0152 (8)0.0082 (9)
C40.0270 (10)0.0426 (11)0.0272 (10)−0.0153 (9)0.0035 (8)0.0114 (9)
C50.0363 (11)0.0216 (9)0.0234 (9)−0.0116 (8)−0.0002 (8)0.0035 (7)
C60.0264 (9)0.0188 (8)0.0183 (8)−0.0031 (7)0.0046 (7)−0.0003 (6)
C70.0151 (7)0.0169 (7)0.0240 (9)0.0004 (6)0.0091 (6)0.0027 (6)
C80.0338 (10)0.0258 (9)0.0240 (9)0.0089 (8)0.0102 (8)0.0037 (7)
C90.0460 (13)0.0365 (11)0.0307 (11)0.0169 (10)0.0161 (10)0.0148 (9)
C100.0320 (10)0.0213 (9)0.0506 (13)0.0112 (8)0.0190 (10)0.0157 (9)
C110.0227 (9)0.0150 (8)0.0517 (13)0.0007 (7)0.0132 (9)−0.0005 (8)
C120.0180 (8)0.0179 (8)0.0300 (9)−0.0011 (6)0.0074 (7)−0.0003 (7)
C130.0191 (8)0.0112 (7)0.0254 (9)−0.0023 (6)0.0102 (7)−0.0011 (6)
C140.0243 (9)0.0168 (8)0.0260 (9)−0.0002 (7)0.0102 (7)−0.0006 (6)
C150.0363 (10)0.0198 (8)0.0288 (10)−0.0002 (7)0.0189 (8)−0.0015 (7)
C160.0291 (10)0.0226 (9)0.0439 (12)0.0031 (7)0.0235 (9)0.0005 (8)
C170.0209 (9)0.0248 (9)0.0403 (11)0.0038 (7)0.0114 (8)0.0035 (8)
C180.0232 (9)0.0188 (8)0.0264 (9)0.0005 (6)0.0095 (7)0.0018 (7)
C190.0197 (8)0.0270 (9)0.0196 (9)0.0000 (7)0.0028 (7)−0.0005 (7)
C200.0246 (9)0.0276 (9)0.0267 (10)0.0069 (7)0.0019 (8)−0.0024 (7)
C210.0341 (10)0.0200 (8)0.0242 (9)0.0044 (7)−0.0030 (8)−0.0001 (7)
C220.0275 (9)0.0213 (8)0.0168 (8)−0.0039 (7)−0.0018 (7)0.0010 (6)
C230.0205 (8)0.0196 (8)0.0126 (7)−0.0029 (6)0.0002 (6)0.0000 (6)
C240.0372 (11)0.0223 (9)0.0245 (10)−0.0112 (8)−0.0018 (8)0.0049 (7)
C250.0312 (10)0.0364 (11)0.0219 (9)−0.0183 (8)0.0015 (8)0.0057 (8)
C260.0227 (9)0.0377 (10)0.0154 (8)−0.0088 (8)0.0032 (7)0.0010 (7)
C270.0200 (8)0.0261 (8)0.0134 (8)−0.0048 (7)0.0027 (6)−0.0005 (6)
C280.0231 (9)0.0547 (13)0.0214 (9)−0.0102 (9)0.0082 (8)−0.0015 (9)
C290.0236 (9)0.0586 (14)0.0239 (10)0.0023 (9)0.0104 (8)−0.0066 (9)
C300.0279 (10)0.0360 (10)0.0211 (9)0.0032 (8)0.0068 (8)−0.0055 (8)

Geometric parameters (Å, °)

Sn1—C12.127 (2)C12—H120.9500
Sn1—C72.138 (2)C13—C181.393 (2)
Sn1—C132.131 (2)C13—C141.398 (2)
Sn1—O12.346 (1)C14—C151.393 (2)
Sn1—Cl12.5132 (4)C14—H140.9500
O1—H1O0.84 (1)C15—C161.386 (3)
O1—H2O0.84 (1)C15—H150.9500
N1—C191.322 (2)C16—C171.381 (3)
N1—C231.364 (2)C16—H160.9500
N2—C301.323 (2)C17—C181.391 (2)
N2—C271.358 (2)C17—H170.9500
C1—C61.395 (2)C18—H180.9500
C1—C21.390 (2)C19—C201.405 (3)
C2—C31.397 (3)C19—H190.9500
C2—H20.9500C20—C211.361 (3)
C3—C41.384 (3)C20—H200.9500
C3—H30.9500C21—C221.409 (3)
C4—C51.376 (3)C21—H210.9500
C4—H40.9500C22—C231.414 (2)
C5—C61.390 (2)C22—C241.432 (3)
C5—H50.9500C23—C271.452 (2)
C6—H60.9500C24—C251.340 (3)
C7—C121.398 (2)C24—H240.9500
C7—C81.391 (3)C25—C261.434 (3)
C8—C91.393 (3)C25—H250.9500
C8—H80.9500C26—C281.408 (3)
C9—C101.378 (3)C26—C271.418 (2)
C9—H90.9500C28—C291.361 (3)
C10—C111.376 (3)C28—H280.9500
C10—H100.9500C29—C301.404 (3)
C11—C121.390 (2)C29—H290.9500
C11—H110.9500C30—H300.9500
C1—Sn1—C7124.25 (6)C14—C13—Sn1120.42 (13)
C1—Sn1—C13120.08 (6)C13—C14—C15120.64 (18)
C1—Sn1—O184.93 (5)C13—C14—H14119.7
C1—Sn1—Cl193.24 (5)C15—C14—H14119.7
C7—Sn1—C13113.94 (6)C16—C15—C14119.73 (18)
C7—Sn1—Cl194.38 (5)C16—C15—H15120.1
C7—Sn1—O187.19 (6)C14—C15—H15120.1
C13—Sn1—O184.80 (6)C15—C16—C17120.38 (17)
C13—Sn1—Cl195.58 (5)C15—C16—H16119.8
O1—Sn1—Cl1178.06 (3)C17—C16—H16119.8
Sn1—O1—H1o111.1 (19)C16—C17—C18119.86 (18)
Sn1—O1—H2o113 (2)C16—C17—H17120.1
H1o—O1—H2o101 (3)C18—C17—H17120.1
C19—N1—C23118.57 (15)C17—C18—C13120.82 (18)
C30—N2—C27118.00 (16)C17—C18—H18119.6
C6—C1—C2118.67 (16)C13—C18—H18119.6
C6—C1—Sn1119.99 (12)N1—C19—C20123.95 (17)
C2—C1—Sn1121.17 (13)N1—C19—H19118.0
C1—C2—C3120.32 (18)C20—C19—H19118.0
C1—C2—H2119.8C21—C20—C19118.14 (17)
C3—C2—H2119.8C21—C20—H20120.9
C4—C3—C2120.23 (19)C19—C20—H20120.9
C4—C3—H3119.9C20—C21—C22119.97 (17)
C2—C3—H3119.9C20—C21—H21120.0
C5—C4—C3119.82 (17)C22—C21—H21120.0
C5—C4—H4120.1C23—C22—C21118.24 (17)
C3—C4—H4120.1C23—C22—C24120.29 (18)
C4—C5—C6120.27 (18)C21—C22—C24121.47 (17)
C4—C5—H5119.9N1—C23—C22121.12 (16)
C6—C5—H5119.9N1—C23—C27119.92 (15)
C5—C6—C1120.67 (17)C22—C23—C27118.95 (16)
C5—C6—H6119.7C25—C24—C22120.82 (18)
C1—C6—H6119.7C25—C24—H24119.6
C12—C7—C8118.48 (16)C22—C24—H24119.6
C12—C7—Sn1120.79 (13)C24—C25—C26121.20 (17)
C8—C7—Sn1120.45 (13)C24—C25—H25119.4
C9—C8—C7120.42 (19)C26—C25—H25119.4
C9—C8—H8119.8C28—C26—C27117.91 (18)
C7—C8—H8119.8C28—C26—C25122.01 (18)
C10—C9—C8120.2 (2)C27—C26—C25120.06 (18)
C10—C9—H9119.9N2—C27—C26121.80 (17)
C8—C9—H9119.9N2—C27—C23119.53 (15)
C11—C10—C9120.17 (18)C26—C27—C23118.66 (16)
C11—C10—H10119.9C29—C28—C26119.80 (18)
C9—C10—H10119.9C29—C28—H28120.1
C10—C11—C12119.95 (18)C26—C28—H28120.1
C10—C11—H11120.0C28—C29—C30118.33 (19)
C12—C11—H11120.0C28—C29—H29120.8
C11—C12—C7120.72 (18)C30—C29—H29120.8
C11—C12—H12119.6N2—C30—C29124.1 (2)
C7—C12—H12119.6N2—C30—H30117.9
C18—C13—C14118.56 (16)C29—C30—H30117.9
C18—C13—Sn1120.95 (13)
C13—Sn1—C1—C612.62 (16)C18—C13—C14—C15−0.1 (2)
C7—Sn1—C1—C6−151.49 (13)Sn1—C13—C14—C15−177.11 (13)
O1—Sn1—C1—C6−68.37 (14)C13—C14—C15—C16−0.3 (3)
Cl1—Sn1—C1—C6110.98 (13)C14—C15—C16—C170.2 (3)
C13—Sn1—C1—C2−172.10 (14)C15—C16—C17—C180.4 (3)
C7—Sn1—C1—C223.79 (17)C16—C17—C18—C13−0.8 (3)
O1—Sn1—C1—C2106.90 (15)C14—C13—C18—C170.7 (3)
Cl1—Sn1—C1—C2−73.75 (14)Sn1—C13—C18—C17177.66 (13)
C6—C1—C2—C31.4 (3)C23—N1—C19—C20−0.2 (3)
Sn1—C1—C2—C3−173.93 (15)N1—C19—C20—C210.6 (3)
C1—C2—C3—C40.0 (3)C19—C20—C21—C22−0.3 (3)
C2—C3—C4—C5−1.3 (3)C20—C21—C22—C23−0.4 (3)
C3—C4—C5—C61.2 (3)C20—C21—C22—C24179.42 (18)
C4—C5—C6—C10.2 (3)C19—N1—C23—C22−0.6 (2)
C2—C1—C6—C5−1.5 (3)C19—N1—C23—C27179.62 (15)
Sn1—C1—C6—C5173.91 (13)C21—C22—C23—N10.9 (3)
C1—Sn1—C7—C12−78.22 (15)C24—C22—C23—N1−178.92 (16)
C13—Sn1—C7—C12116.81 (13)C21—C22—C23—C27−179.32 (16)
O1—Sn1—C7—C12−160.15 (13)C24—C22—C23—C270.8 (3)
Cl1—Sn1—C7—C1218.72 (13)C23—C22—C24—C250.1 (3)
C1—Sn1—C7—C8108.01 (14)C21—C22—C24—C25−179.75 (18)
C13—Sn1—C7—C8−56.97 (16)C22—C24—C25—C26−0.7 (3)
O1—Sn1—C7—C826.08 (14)C24—C25—C26—C28−178.24 (19)
Cl1—Sn1—C7—C8−155.05 (14)C24—C25—C26—C270.4 (3)
C12—C7—C8—C9−1.0 (3)C30—N2—C27—C260.6 (3)
Sn1—C7—C8—C9172.95 (15)C30—N2—C27—C23−178.48 (16)
C7—C8—C9—C100.2 (3)C28—C26—C27—N20.1 (3)
C8—C9—C10—C111.2 (3)C25—C26—C27—N2−178.60 (17)
C9—C10—C11—C12−2.0 (3)C28—C26—C27—C23179.23 (16)
C10—C11—C12—C71.2 (3)C25—C26—C27—C230.5 (3)
C8—C7—C12—C110.2 (3)N1—C23—C27—N2−2.2 (2)
Sn1—C7—C12—C11−173.66 (13)C22—C23—C27—N2178.03 (16)
C1—Sn1—C13—C1866.35 (15)N1—C23—C27—C26178.62 (16)
C7—Sn1—C13—C18−127.99 (13)C22—C23—C27—C26−1.1 (2)
O1—Sn1—C13—C18147.42 (13)C27—C26—C28—C29−0.6 (3)
Cl1—Sn1—C13—C18−30.67 (13)C25—C26—C28—C29178.06 (19)
C1—Sn1—C13—C14−116.71 (13)C26—C28—C29—C300.4 (3)
C7—Sn1—C13—C1448.95 (15)C27—N2—C30—C29−0.9 (3)
O1—Sn1—C13—C14−35.64 (13)C28—C29—C30—N20.4 (3)
Cl1—Sn1—C13—C14146.27 (12)

Hydrogen-bond geometry (Å, °)

D—H···AD—HH···AD···AD—H···A
O1—H1o···N10.84 (1)1.91 (1)2.716 (2)159 (3)
O1—H2o···N20.84 (1)2.03 (2)2.757 (2)144 (3)

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: TK2288).

References

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