metal-organic compounds
Di-μ2-ethanolato-octamethylbis(μ-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-ido-κ2N1:N2)di-μ3-oxido-tetratin(IV)
aDepartment of Chemistry, General Campus, Shahid Beheshti University, Tehran 1983963113, Iran, and bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
*Correspondence e-mail: seikweng@um.edu.my
The tetranuclear title compound, [Sn4(CH3)8(C2H5O)2O2(C3H4N3S)2], lies about a center of inversion; the molecule features a three-rung-staircase Sn4O4 core in which two SnIV atoms are bridged by the 4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-ide group. The negatively charged N atom of the group binds to the terminal SnIV atom at a shorter distance [Sn—N = 2.240 (3) Å] compared with the neutral N atom that binds to the central SnIV atom [Sn← N = 2.641 (3) Å]. The terminal SnIV atom is five-coordinate in a cis-C2SnNO2 trigonal–bipyramidal geometry [C—Sn—C = 127.5 (2)°], whereas the central SnIV atom is six-coordinate in a C2SnNO3 skew-trazepoidal bipyramidal geometry [C—Sn—C = 145.0 (2)°].
Experimental
Crystal data
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Data collection: CrysAlis PRO (Agilent, 2012); cell CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).
Supporting information
10.1107/S1600536812047708/bt6863sup1.cif
contains datablocks global, I. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536812047708/bt6863Isup2.hkl
Dimethyltin diisothiocyanate (1 mmol), 4-methyl-4H-1,2,4-triazole-3-thiol (1 mmol) and 1,10-phenanthroline (1 mmol) were loaded into a convection tube; several drops of triethylamine were added. The tube was filled with dry ethanol and kept at 333 K. Colorless crystals were collected from the side arm after several days.
Carbon-bound H-atoms were placed in calculated positions [C—H 0.95 to 0.98 Å, Uiso(H) 1.2 to 1.5Ueq(C)] and were included in the
in the riding model approximation.Data collection: CrysAlis PRO (Agilent, 2012); cell
CrysAlis PRO (Agilent, 2012); data reduction: CrysAlis PRO (Agilent, 2012); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).Fig. 1. Thermal ellipsoid plot (Barbour, 2001) of Sn4O2(CH3)8(C2H5O)2(C3H4N3S)2 at the 70% probability level; hydrogen atoms are drawn as spheres of arbitrary radius. |
[Sn4(CH3)8(C2H5O)2O2(C3H4N3S)2] | F(000) = 912 |
Mr = 945.46 | Dx = 1.935 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 6388 reflections |
a = 9.3965 (4) Å | θ = 2.9–27.5° |
b = 17.8939 (7) Å | µ = 3.20 mm−1 |
c = 9.9084 (4) Å | T = 100 K |
β = 103.036 (4)° | Prism, colorless |
V = 1623.06 (11) Å3 | 0.30 × 0.25 × 0.20 mm |
Z = 2 |
Agilent SuperNova (Dual, Cu at zero, Atlas) diffractometer | 3743 independent reflections |
Radiation source: SuperNova (Mo) X-ray Source | 3280 reflections with I > 2σ(I) |
Mirror monochromator | Rint = 0.037 |
Detector resolution: 10.4041 pixels mm-1 | θmax = 27.6°, θmin = 2.9° |
ω scan | h = −11→12 |
Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2012) | k = −23→21 |
Tmin = 0.447, Tmax = 0.567 | l = −11→12 |
15728 measured reflections |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.026 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.065 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0302P)2 + 2.3203P] where P = (Fo2 + 2Fc2)/3 |
3743 reflections | (Δ/σ)max = 0.001 |
155 parameters | Δρmax = 0.75 e Å−3 |
0 restraints | Δρmin = −0.67 e Å−3 |
[Sn4(CH3)8(C2H5O)2O2(C3H4N3S)2] | V = 1623.06 (11) Å3 |
Mr = 945.46 | Z = 2 |
Monoclinic, P21/n | Mo Kα radiation |
a = 9.3965 (4) Å | µ = 3.20 mm−1 |
b = 17.8939 (7) Å | T = 100 K |
c = 9.9084 (4) Å | 0.30 × 0.25 × 0.20 mm |
β = 103.036 (4)° |
Agilent SuperNova (Dual, Cu at zero, Atlas) diffractometer | 3743 independent reflections |
Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2012) | 3280 reflections with I > 2σ(I) |
Tmin = 0.447, Tmax = 0.567 | Rint = 0.037 |
15728 measured reflections |
R[F2 > 2σ(F2)] = 0.026 | 0 restraints |
wR(F2) = 0.065 | H-atom parameters constrained |
S = 1.04 | Δρmax = 0.75 e Å−3 |
3743 reflections | Δρmin = −0.67 e Å−3 |
155 parameters |
x | y | z | Uiso*/Ueq | ||
Sn1 | 0.37077 (2) | 0.436391 (12) | 0.49959 (2) | 0.01497 (7) | |
Sn2 | 0.70638 (2) | 0.467990 (13) | 0.80539 (2) | 0.01507 (7) | |
S1 | 0.69104 (11) | 0.33447 (6) | 1.09067 (10) | 0.0342 (2) | |
O1 | 0.5639 (2) | 0.48179 (13) | 0.6221 (2) | 0.0182 (5) | |
O2 | 0.7909 (3) | 0.55849 (14) | 0.7058 (2) | 0.0200 (5) | |
N1 | 0.4168 (3) | 0.36557 (17) | 0.7393 (3) | 0.0224 (6) | |
N2 | 0.5475 (3) | 0.37949 (17) | 0.8347 (3) | 0.0199 (6) | |
N3 | 0.4324 (3) | 0.29205 (17) | 0.9189 (3) | 0.0233 (6) | |
C1 | 0.4547 (4) | 0.3342 (2) | 0.4438 (4) | 0.0253 (8) | |
H1A | 0.5373 | 0.3442 | 0.4012 | 0.038* | |
H1B | 0.3782 | 0.3076 | 0.3777 | 0.038* | |
H1C | 0.4877 | 0.3034 | 0.5268 | 0.038* | |
C2 | 0.2100 (4) | 0.4864 (2) | 0.5902 (4) | 0.0265 (8) | |
H2A | 0.2210 | 0.5408 | 0.5902 | 0.040* | |
H2B | 0.2221 | 0.4686 | 0.6857 | 0.040* | |
H2C | 0.1125 | 0.4727 | 0.5366 | 0.040* | |
C3 | 0.8781 (4) | 0.3928 (2) | 0.7987 (4) | 0.0276 (8) | |
H3A | 0.9637 | 0.4208 | 0.7859 | 0.041* | |
H3B | 0.8469 | 0.3579 | 0.7214 | 0.041* | |
H3C | 0.9034 | 0.3647 | 0.8858 | 0.041* | |
C4 | 0.6810 (4) | 0.5344 (2) | 0.9736 (3) | 0.0247 (8) | |
H4A | 0.7441 | 0.5785 | 0.9803 | 0.037* | |
H4B | 0.7081 | 0.5054 | 1.0594 | 0.037* | |
H4C | 0.5789 | 0.5504 | 0.9595 | 0.037* | |
C5 | 0.3523 (4) | 0.3131 (2) | 0.7935 (3) | 0.0236 (7) | |
H5 | 0.2603 | 0.2921 | 0.7505 | 0.028* | |
C6 | 0.4001 (5) | 0.2340 (2) | 1.0099 (4) | 0.0343 (9) | |
H6A | 0.3039 | 0.2124 | 0.9699 | 0.051* | |
H6B | 0.3999 | 0.2555 | 1.1008 | 0.051* | |
H6C | 0.4747 | 0.1948 | 1.0204 | 0.051* | |
C7 | 0.5556 (4) | 0.3356 (2) | 0.9450 (3) | 0.0212 (7) | |
C8 | 0.9254 (4) | 0.5956 (2) | 0.7578 (4) | 0.0239 (7) | |
H8A | 0.9841 | 0.5950 | 0.6864 | 0.029* | |
H8B | 0.9809 | 0.5685 | 0.8400 | 0.029* | |
C9 | 0.9025 (5) | 0.6751 (2) | 0.7972 (5) | 0.0381 (10) | |
H9A | 0.9974 | 0.6990 | 0.8327 | 0.057* | |
H9B | 0.8458 | 0.6758 | 0.8689 | 0.057* | |
H9C | 0.8493 | 0.7024 | 0.7155 | 0.057* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.01475 (12) | 0.01498 (13) | 0.01399 (11) | −0.00248 (8) | 0.00072 (8) | 0.00005 (8) |
Sn2 | 0.01482 (12) | 0.01626 (13) | 0.01265 (11) | 0.00072 (8) | −0.00002 (8) | −0.00025 (8) |
S1 | 0.0269 (5) | 0.0421 (6) | 0.0294 (5) | 0.0007 (4) | −0.0028 (4) | 0.0170 (4) |
O1 | 0.0186 (12) | 0.0190 (12) | 0.0146 (11) | −0.0030 (10) | −0.0011 (9) | 0.0042 (9) |
O2 | 0.0177 (12) | 0.0203 (13) | 0.0190 (12) | −0.0075 (10) | −0.0018 (9) | 0.0009 (9) |
N1 | 0.0239 (16) | 0.0221 (16) | 0.0198 (14) | −0.0062 (13) | 0.0017 (11) | −0.0017 (11) |
N2 | 0.0179 (14) | 0.0235 (16) | 0.0154 (13) | −0.0038 (12) | −0.0021 (10) | 0.0026 (11) |
N3 | 0.0275 (17) | 0.0184 (16) | 0.0251 (15) | −0.0027 (13) | 0.0083 (12) | 0.0011 (12) |
C1 | 0.031 (2) | 0.022 (2) | 0.0214 (17) | 0.0031 (16) | 0.0031 (14) | −0.0010 (14) |
C2 | 0.0229 (19) | 0.036 (2) | 0.0215 (17) | 0.0055 (16) | 0.0056 (14) | −0.0044 (15) |
C3 | 0.0238 (19) | 0.025 (2) | 0.034 (2) | 0.0090 (16) | 0.0073 (15) | 0.0025 (15) |
C4 | 0.029 (2) | 0.027 (2) | 0.0198 (17) | −0.0050 (16) | 0.0076 (14) | −0.0073 (14) |
C5 | 0.0273 (19) | 0.0212 (19) | 0.0222 (17) | −0.0050 (15) | 0.0056 (14) | −0.0048 (13) |
C6 | 0.043 (2) | 0.024 (2) | 0.039 (2) | −0.0082 (18) | 0.0167 (18) | 0.0084 (16) |
C7 | 0.0218 (18) | 0.0180 (18) | 0.0242 (17) | 0.0023 (14) | 0.0062 (13) | 0.0017 (13) |
C8 | 0.0184 (17) | 0.025 (2) | 0.0285 (18) | −0.0033 (15) | 0.0049 (14) | −0.0017 (14) |
C9 | 0.030 (2) | 0.030 (2) | 0.050 (3) | −0.0106 (18) | 0.0016 (18) | −0.0093 (18) |
Sn1—O1i | 2.076 (2) | C1—H1B | 0.9800 |
Sn1—O1 | 2.106 (2) | C1—H1C | 0.9800 |
Sn1—C1 | 2.114 (4) | C2—H2A | 0.9800 |
Sn1—C2 | 2.121 (4) | C2—H2B | 0.9800 |
Sn1—O2i | 2.250 (2) | C2—H2C | 0.9800 |
Sn1—N1 | 2.641 (3) | C3—H3A | 0.9800 |
Sn2—O1 | 2.013 (2) | C3—H3B | 0.9800 |
Sn2—C4 | 2.105 (3) | C3—H3C | 0.9800 |
Sn2—C3 | 2.114 (4) | C4—H4A | 0.9800 |
Sn2—O2 | 2.140 (2) | C4—H4B | 0.9800 |
Sn2—N2 | 2.240 (3) | C4—H4C | 0.9800 |
S1—C7 | 1.695 (4) | C5—H5 | 0.9500 |
O1—Sn1i | 2.076 (2) | C6—H6A | 0.9800 |
O2—C8 | 1.418 (4) | C6—H6B | 0.9800 |
O2—Sn1i | 2.250 (2) | C6—H6C | 0.9800 |
N1—C5 | 1.297 (5) | C8—C9 | 1.503 (6) |
N1—N2 | 1.393 (4) | C8—H8A | 0.9900 |
N2—C7 | 1.334 (4) | C8—H8B | 0.9900 |
N3—C5 | 1.353 (4) | C9—H9A | 0.9800 |
N3—C7 | 1.371 (5) | C9—H9B | 0.9800 |
N3—C6 | 1.452 (5) | C9—H9C | 0.9800 |
C1—H1A | 0.9800 | ||
O1i—Sn1—O1 | 74.55 (9) | H1A—C1—H1C | 109.5 |
O1i—Sn1—C1 | 106.36 (12) | H1B—C1—H1C | 109.5 |
O1—Sn1—C1 | 99.22 (12) | Sn1—C2—H2A | 109.5 |
O1i—Sn1—C2 | 106.31 (13) | Sn1—C2—H2B | 109.5 |
O1—Sn1—C2 | 101.36 (12) | H2A—C2—H2B | 109.5 |
C1—Sn1—C2 | 144.96 (16) | Sn1—C2—H2C | 109.5 |
O1i—Sn1—O2i | 70.95 (8) | H2A—C2—H2C | 109.5 |
O1—Sn1—O2i | 145.49 (9) | H2B—C2—H2C | 109.5 |
C1—Sn1—O2i | 90.83 (12) | Sn2—C3—H3A | 109.5 |
C2—Sn1—O2i | 88.04 (12) | Sn2—C3—H3B | 109.5 |
O1i—Sn1—N1 | 148.36 (9) | H3A—C3—H3B | 109.5 |
O1—Sn1—N1 | 73.83 (9) | Sn2—C3—H3C | 109.5 |
C1—Sn1—N1 | 79.92 (12) | H3A—C3—H3C | 109.5 |
C2—Sn1—N1 | 79.00 (12) | H3B—C3—H3C | 109.5 |
O2i—Sn1—N1 | 140.66 (9) | Sn2—C4—H4A | 109.5 |
O1—Sn2—C4 | 118.29 (13) | Sn2—C4—H4B | 109.5 |
O1—Sn2—C3 | 114.01 (12) | H4A—C4—H4B | 109.5 |
C4—Sn2—C3 | 127.46 (15) | Sn2—C4—H4C | 109.5 |
O1—Sn2—O2 | 74.44 (9) | H4A—C4—H4C | 109.5 |
C4—Sn2—O2 | 93.32 (12) | H4B—C4—H4C | 109.5 |
C3—Sn2—O2 | 95.86 (13) | N1—C5—N3 | 111.5 (3) |
O1—Sn2—N2 | 82.92 (9) | N1—C5—H5 | 124.3 |
C4—Sn2—N2 | 95.66 (13) | N3—C5—H5 | 124.3 |
C3—Sn2—N2 | 95.15 (14) | N3—C6—H6A | 109.5 |
O2—Sn2—N2 | 157.27 (9) | N3—C6—H6B | 109.5 |
Sn2—O1—Sn1i | 112.77 (11) | H6A—C6—H6B | 109.5 |
Sn2—O1—Sn1 | 141.62 (12) | N3—C6—H6C | 109.5 |
Sn1i—O1—Sn1 | 105.45 (9) | H6A—C6—H6C | 109.5 |
C8—O2—Sn2 | 125.4 (2) | H6B—C6—H6C | 109.5 |
C8—O2—Sn1i | 132.4 (2) | N2—C7—N3 | 106.8 (3) |
Sn2—O2—Sn1i | 101.70 (9) | N2—C7—S1 | 126.7 (3) |
C5—N1—N2 | 105.8 (3) | N3—C7—S1 | 126.4 (3) |
C5—N1—Sn1 | 136.2 (2) | O2—C8—C9 | 111.7 (3) |
N2—N1—Sn1 | 117.7 (2) | O2—C8—H8A | 109.3 |
C7—N2—N1 | 109.2 (3) | C9—C8—H8A | 109.3 |
C7—N2—Sn2 | 127.3 (2) | O2—C8—H8B | 109.3 |
N1—N2—Sn2 | 123.4 (2) | C9—C8—H8B | 109.3 |
C5—N3—C7 | 106.7 (3) | H8A—C8—H8B | 108.0 |
C5—N3—C6 | 128.2 (3) | C8—C9—H9A | 109.5 |
C7—N3—C6 | 125.1 (3) | C8—C9—H9B | 109.5 |
Sn1—C1—H1A | 109.5 | H9A—C9—H9B | 109.5 |
Sn1—C1—H1B | 109.5 | C8—C9—H9C | 109.5 |
H1A—C1—H1B | 109.5 | H9A—C9—H9C | 109.5 |
Sn1—C1—H1C | 109.5 | H9B—C9—H9C | 109.5 |
C4—Sn2—O1—Sn1i | 88.55 (16) | O1i—Sn1—N1—N2 | −9.0 (3) |
C3—Sn2—O1—Sn1i | −86.31 (16) | O1—Sn1—N1—N2 | −6.9 (2) |
O2—Sn2—O1—Sn1i | 3.23 (10) | C1—Sn1—N1—N2 | 95.9 (3) |
N2—Sn2—O1—Sn1i | −178.81 (13) | C2—Sn1—N1—N2 | −112.3 (3) |
C4—Sn2—O1—Sn1 | −96.9 (2) | O2i—Sn1—N1—N2 | 174.7 (2) |
C3—Sn2—O1—Sn1 | 88.2 (2) | C5—N1—N2—C7 | −1.2 (4) |
O2—Sn2—O1—Sn1 | 177.8 (2) | Sn1—N1—N2—C7 | −176.1 (2) |
N2—Sn2—O1—Sn1 | −4.3 (2) | C5—N1—N2—Sn2 | −177.7 (2) |
O1i—Sn1—O1—Sn2 | −174.8 (3) | Sn1—N1—N2—Sn2 | 7.5 (3) |
C1—Sn1—O1—Sn2 | −70.2 (2) | O1—Sn2—N2—C7 | −179.2 (3) |
C2—Sn1—O1—Sn2 | 81.3 (2) | C4—Sn2—N2—C7 | −61.3 (3) |
O2i—Sn1—O1—Sn2 | −175.41 (15) | C3—Sn2—N2—C7 | 67.2 (3) |
N1—Sn1—O1—Sn2 | 6.38 (19) | O2—Sn2—N2—C7 | −174.1 (3) |
O1i—Sn1—O1—Sn1i | 0.0 | O1—Sn2—N2—N1 | −3.4 (3) |
C1—Sn1—O1—Sn1i | 104.54 (13) | C4—Sn2—N2—N1 | 114.5 (3) |
C2—Sn1—O1—Sn1i | −103.98 (14) | C3—Sn2—N2—N1 | −117.0 (3) |
O2i—Sn1—O1—Sn1i | −0.7 (2) | O2—Sn2—N2—N1 | 1.7 (4) |
N1—Sn1—O1—Sn1i | −178.86 (13) | N2—N1—C5—N3 | 0.3 (4) |
O1—Sn2—O2—C8 | −175.8 (3) | Sn1—N1—C5—N3 | 173.6 (2) |
C4—Sn2—O2—C8 | 65.7 (3) | C7—N3—C5—N1 | 0.7 (4) |
C3—Sn2—O2—C8 | −62.5 (3) | C6—N3—C5—N1 | −178.0 (4) |
N2—Sn2—O2—C8 | 178.9 (3) | N1—N2—C7—N3 | 1.7 (4) |
O1—Sn2—O2—Sn1i | −2.81 (9) | Sn2—N2—C7—N3 | 177.9 (2) |
C4—Sn2—O2—Sn1i | −121.28 (13) | N1—N2—C7—S1 | −177.6 (3) |
C3—Sn2—O2—Sn1i | 110.52 (13) | Sn2—N2—C7—S1 | −1.3 (5) |
N2—Sn2—O2—Sn1i | −8.1 (3) | C5—N3—C7—N2 | −1.5 (4) |
O1i—Sn1—N1—C5 | 178.2 (3) | C6—N3—C7—N2 | 177.3 (3) |
O1—Sn1—N1—C5 | −179.7 (4) | C5—N3—C7—S1 | 177.8 (3) |
C1—Sn1—N1—C5 | −76.9 (4) | C6—N3—C7—S1 | −3.4 (5) |
C2—Sn1—N1—C5 | 75.0 (4) | Sn2—O2—C8—C9 | −112.7 (3) |
O2i—Sn1—N1—C5 | 1.9 (4) | Sn1i—O2—C8—C9 | 76.5 (4) |
Symmetry code: (i) −x+1, −y+1, −z+1. |
Experimental details
Crystal data | |
Chemical formula | [Sn4(CH3)8(C2H5O)2O2(C3H4N3S)2] |
Mr | 945.46 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 100 |
a, b, c (Å) | 9.3965 (4), 17.8939 (7), 9.9084 (4) |
β (°) | 103.036 (4) |
V (Å3) | 1623.06 (11) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 3.20 |
Crystal size (mm) | 0.30 × 0.25 × 0.20 |
Data collection | |
Diffractometer | Agilent SuperNova (Dual, Cu at zero, Atlas) diffractometer |
Absorption correction | Multi-scan (CrysAlis PRO; Agilent, 2012) |
Tmin, Tmax | 0.447, 0.567 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 15728, 3743, 3280 |
Rint | 0.037 |
(sin θ/λ)max (Å−1) | 0.651 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.026, 0.065, 1.04 |
No. of reflections | 3743 |
No. of parameters | 155 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.75, −0.67 |
Computer programs: CrysAlis PRO (Agilent, 2012), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), X-SEED (Barbour, 2001), publCIF (Westrip, 2010).
Acknowledgements
We thank Shahid Beheshti University and the Ministry of Higher Education of Malaysia (grant No. UM.C/HIR/MOHE/SC/12) for supporting this study.
References
Agilent (2012). CrysAlis PRO. Agilent Technologies, Yarnton, England. Google Scholar
Barbour, L. J. (2001). J. Supramol. Chem. 1, 189–191. CrossRef CAS Google Scholar
Najafi, E., Amini, M. M. & Ng, S. W. (2011). Acta Cryst. E67, m242. Web of Science CSD CrossRef IUCr Journals Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920–925. Web of Science CrossRef CAS IUCr Journals Google Scholar
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The title compound (Scheme I, Fig. 1), a distannoxane, was the unexpected product from an attempt at synthesizing a dimethyltin 4-methyl-4H-1,2,4-triazol-3-thiolate that possesses a tin-sulfur linkage. In the reaction of diorganotin oxides with organic acids (particularly carboxylic acids), tetranuclear distannoxanes are sometimes formed; these compounds have four organic groups. In the present reaction, two of the four organic groups are replaced by ethoxide groups.
Tetranuclear Sn4O2(CH3)8(C2H5O)2(C3H4N3S)2 lies about a center-of-inversion; the molecule features a three-rung-staircase Sn4O4 core in which two Sn atoms are bridged by the C3H4N3S triazolate group. The negatively-charged N atom of the group binds to the terminal Sn atom at a shorter distance [Sn–N 2.240 (3) Å] compared with the neutral N atom that binds to the central Sn atom [Sn←N 2.641 (3) Å]. The terminal Sn atom is five-coordinate in a cis-C3SnNO trigonal bipyramid whereas the central Sn atom is six-coordinate in a C2SnNO3 skew-trazepoidal bipyramidal geometry.