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Di­aqua­di­chloro­di­phenyl­tin(IV) 18-crown-6, [SnCl2(C6H5)2(H2O)2]·C12H24O6, adopts an all-trans octahedral configuration at the Sn atom. The coordinated water mol­ecule forms a pair of hydrogen bonds to the polyether to furnish a linear hydrogen-bonded chain structure. There are two half-mol­ecules of each component in the asymmetric unit, with the Sn atoms and the centres of the crown ethers lying on inversion centres.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802001125/bt6102sup1.cif
Contains datablocks I, bt6102

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536802001125/bt6102Isup2.hkl
Contains datablock I

CCDC reference: 180761

Key indicators

  • Single-crystal X-ray study
  • T = 168 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.028
  • wR factor = 0.069
  • Data-to-parameter ratio = 16.7

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry








Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Diaquadichlorodiphenyltin(IV).18-crown-6 top
Crystal data top
[SnCl2(C6H5)2(H2O)2]·C12H24O6Z = 2
Mr = 644.13F(000) = 660
Triclinic, P1Dx = 1.522 Mg m3
a = 8.0970 (6) ÅMo Kα radiation, λ = 0.71073 Å
b = 12.355 (1) ÅCell parameters from 4783 reflections
c = 14.701 (1) Åθ = 1.7–26.4°
α = 84.116 (2)°µ = 1.14 mm1
β = 82.041 (3)°T = 168 K
γ = 75.302 (3)°Plate, colourless
V = 1405.4 (2) Å30.49 × 0.25 × 0.04 mm
Data collection top
Siemens CCD area-detector
diffractometer
5523 independent reflections
Radiation source: fine-focus sealed tube4296 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.030
ω scansθmax = 26.4°, θmin = 1.7°
Absorption correction: empirical
(SADABS; Sheldrick, 1996)
h = 95
Tmin = 0.605, Tmax = 0.956k = 1515
17544 measured reflectionsl = 1818
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)] = 0.028Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.069H atoms treated by a mixture of independent and constrained refinement
S = 1.04 w = 1/[σ2(Fo2) + (0.0355P)2 + 0.3568P]
where P = (Fo2 + 2Fc2)/3
5523 reflections(Δ/σ)max < 0.001
331 parametersΔρmax = 0.77 e Å3
4 restraintsΔρmin = 0.62 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Sn1a0.00000.00000.00000.01768 (8)
Cl1a0.07586 (10)0.03211 (6)0.17337 (5)0.02334 (16)
O1a0.4018 (3)0.19486 (16)0.00095 (13)0.0252 (5)
O2a0.3578 (3)0.11072 (18)0.18423 (14)0.0284 (5)
O3a0.4107 (3)0.12964 (16)0.16886 (13)0.0247 (5)
O1wa0.2690 (3)0.00223 (16)0.02199 (14)0.0215 (4)
H1a10.296 (4)0.0631 (15)0.024 (2)0.026*
H1a20.316 (4)0.043 (2)0.0635 (15)0.026*
C1a0.0812 (4)0.1789 (2)0.01214 (19)0.0199 (6)
C2a0.0460 (4)0.2247 (3)0.0886 (2)0.0266 (7)
H2a0.01660.17680.13350.032*
C3a0.1017 (5)0.3395 (3)0.0996 (2)0.0366 (8)
H3a0.07700.36950.15180.044*
C4a0.1937 (5)0.4103 (3)0.0339 (2)0.0382 (9)
H4a0.23220.48850.04140.046*
C5a0.2291 (4)0.3660 (3)0.0424 (2)0.0320 (8)
H5a0.29170.41400.08720.038*
C6a0.1724 (4)0.2504 (2)0.0534 (2)0.0235 (7)
H6a0.19640.22060.10580.028*
C7a0.3973 (4)0.2611 (3)0.0748 (2)0.0268 (7)
H7a10.27750.30190.09390.032*
H7a20.46670.31680.05580.032*
C8a0.4688 (4)0.1844 (3)0.1535 (2)0.0276 (7)
H8a10.58610.14020.13340.033*
H8a20.47560.22900.20450.033*
C9a0.4203 (4)0.0288 (3)0.2558 (2)0.0307 (8)
H9a10.38300.06060.31650.037*
H9a20.54750.00660.24690.037*
C10a0.3485 (4)0.0723 (3)0.25197 (19)0.0276 (7)
H10a0.37940.12540.30560.033*
H10b0.22150.04770.25690.033*
C11a0.5905 (4)0.1851 (2)0.1628 (2)0.0257 (7)
H11a0.61690.22920.22140.031*
H11b0.66030.12880.15160.031*
C12a0.6338 (4)0.2618 (2)0.0846 (2)0.0266 (7)
H12a0.75670.30210.08040.032*
H12b0.56370.31790.09560.032*
Sn1b0.50000.50000.50000.01895 (8)
Cl1b0.47039 (10)0.57621 (6)0.33269 (5)0.02570 (17)
O1b0.0275 (3)0.53423 (16)0.69384 (13)0.0236 (5)
O2b0.0911 (3)0.30543 (17)0.63618 (13)0.0275 (5)
O3b0.1020 (3)0.31653 (16)0.44844 (13)0.0271 (5)
O1wb0.2229 (3)0.48814 (17)0.52002 (14)0.0229 (5)
H1b10.157 (3)0.513 (2)0.5664 (14)0.027*
H1b20.202 (4)0.4267 (15)0.513 (2)0.027*
C1b0.4176 (4)0.6689 (2)0.54390 (19)0.0203 (6)
C2b0.3174 (4)0.6930 (3)0.6282 (2)0.0273 (7)
H2b0.28860.63370.66850.033*
C3b0.2591 (4)0.8031 (3)0.6539 (2)0.0318 (8)
H3b0.19080.81810.71130.038*
C4b0.3002 (5)0.8909 (3)0.5961 (2)0.0342 (8)
H4b0.25930.96600.61340.041*
C5b0.4016 (5)0.8682 (3)0.5129 (2)0.0322 (8)
H5b0.43200.92790.47370.039*
C6b0.4593 (4)0.7583 (2)0.4861 (2)0.0280 (7)
H6b0.52720.74400.42860.034*
C7b0.0687 (4)0.4327 (2)0.75267 (19)0.0250 (7)
H7b10.01770.44940.81640.030*
H7b20.19500.40890.75260.030*
C8b0.0067 (4)0.3362 (2)0.72562 (19)0.0252 (7)
H8b10.03320.27140.77130.030*
H8b20.11940.35880.72430.030*
C9b0.0041 (4)0.2394 (3)0.5950 (2)0.0269 (7)
H9b10.11590.28160.58910.032*
H9b20.00170.16940.63380.032*
C10b0.0993 (4)0.2124 (2)0.5012 (2)0.0271 (7)
H10c0.21810.16800.50720.033*
H10d0.04050.16790.47020.033*
C11b0.1756 (4)0.3010 (2)0.35511 (19)0.0266 (7)
H11c0.11700.25420.32640.032*
H11d0.29920.26270.35280.032*
C12b0.1530 (4)0.4160 (3)0.3039 (2)0.0265 (7)
H12c0.20860.46350.33380.032*
H12d0.20690.40890.23940.032*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn1a0.01898 (18)0.01633 (15)0.01774 (15)0.00454 (12)0.00118 (11)0.00197 (11)
Cl1a0.0244 (4)0.0254 (4)0.0199 (3)0.0065 (3)0.0008 (3)0.0016 (3)
O1a0.0297 (13)0.0232 (11)0.0229 (11)0.0062 (9)0.0030 (9)0.0033 (9)
O2a0.0250 (13)0.0313 (12)0.0304 (12)0.0082 (10)0.0087 (9)0.0009 (9)
O3a0.0235 (13)0.0283 (11)0.0217 (10)0.0030 (9)0.0055 (8)0.0031 (9)
O1wa0.0225 (12)0.0183 (10)0.0245 (11)0.0056 (9)0.0059 (9)0.0019 (9)
C1a0.0160 (17)0.0197 (15)0.0235 (15)0.0063 (12)0.0035 (11)0.0018 (12)
C2a0.0262 (19)0.0274 (17)0.0278 (16)0.0086 (14)0.0019 (13)0.0061 (13)
C3a0.046 (2)0.0289 (18)0.0380 (19)0.0128 (17)0.0004 (16)0.0132 (15)
C4a0.040 (2)0.0176 (16)0.056 (2)0.0065 (15)0.0055 (17)0.0096 (15)
C5a0.028 (2)0.0218 (16)0.0415 (19)0.0025 (14)0.0017 (15)0.0054 (14)
C6a0.0226 (18)0.0238 (15)0.0250 (15)0.0085 (13)0.0016 (12)0.0002 (12)
C7a0.0276 (19)0.0269 (17)0.0282 (16)0.0102 (14)0.0015 (13)0.0101 (13)
C8a0.0226 (19)0.0360 (18)0.0261 (16)0.0085 (14)0.0008 (13)0.0100 (14)
C9a0.037 (2)0.0298 (17)0.0241 (16)0.0001 (15)0.0107 (14)0.0047 (13)
C10a0.0251 (19)0.0337 (18)0.0208 (15)0.0024 (14)0.0005 (12)0.0016 (13)
C11a0.0239 (19)0.0270 (17)0.0250 (16)0.0024 (14)0.0074 (13)0.0002 (13)
C12a0.0263 (19)0.0229 (16)0.0296 (17)0.0038 (13)0.0055 (13)0.0010 (13)
Sn1b0.01913 (18)0.01917 (15)0.01904 (15)0.00619 (12)0.00055 (11)0.00197 (11)
Cl1b0.0254 (4)0.0309 (4)0.0216 (4)0.0093 (3)0.0028 (3)0.0005 (3)
O1b0.0202 (12)0.0244 (11)0.0253 (11)0.0061 (9)0.0014 (8)0.0028 (8)
O2b0.0285 (13)0.0322 (12)0.0240 (11)0.0134 (10)0.0033 (9)0.0047 (9)
O3b0.0372 (14)0.0216 (11)0.0212 (11)0.0082 (10)0.0039 (9)0.0026 (9)
O1wb0.0224 (12)0.0235 (11)0.0245 (11)0.0093 (9)0.0025 (9)0.0077 (9)
C1b0.0198 (17)0.0191 (15)0.0231 (15)0.0057 (12)0.0050 (12)0.0016 (12)
C2b0.0243 (19)0.0285 (17)0.0309 (17)0.0116 (14)0.0020 (13)0.0042 (13)
C3b0.031 (2)0.0345 (18)0.0302 (17)0.0059 (15)0.0011 (14)0.0128 (14)
C4b0.040 (2)0.0247 (17)0.039 (2)0.0017 (15)0.0136 (16)0.0126 (15)
C5b0.043 (2)0.0221 (16)0.0336 (18)0.0106 (15)0.0110 (15)0.0018 (14)
C6b0.035 (2)0.0281 (17)0.0237 (16)0.0114 (15)0.0054 (13)0.0013 (13)
C7b0.0243 (18)0.0273 (16)0.0222 (15)0.0053 (13)0.0036 (12)0.0024 (12)
C8b0.0273 (19)0.0247 (16)0.0233 (15)0.0082 (14)0.0006 (13)0.0014 (12)
C9b0.027 (2)0.0266 (16)0.0296 (17)0.0127 (14)0.0034 (13)0.0011 (13)
C10b0.035 (2)0.0214 (16)0.0279 (16)0.0113 (14)0.0053 (13)0.0003 (13)
C11b0.0278 (19)0.0259 (16)0.0234 (15)0.0024 (14)0.0010 (13)0.0047 (13)
C12b0.0271 (19)0.0289 (17)0.0209 (15)0.0057 (14)0.0037 (13)0.0017 (13)
Geometric parameters (Å, º) top
Sn1a—C1a2.159 (3)Sn1b—C1b2.160 (3)
Sn1a—C1ai2.159 (3)Sn1b—C1biii2.160 (3)
Sn1a—O1wa2.253 (2)Sn1b—O1wb2.262 (2)
Sn1a—O1wai2.253 (2)Sn1b—O1wbiii2.262 (2)
Sn1a—Cl1a2.5521 (7)Sn1b—Cl1b2.5627 (7)
Sn1a—Cl1ai2.5521 (7)Sn1b—Cl1biii2.5627 (7)
O1a—C12aii1.431 (3)O1b—C12biv1.432 (4)
O1a—C7a1.439 (3)O1b—C7b1.441 (3)
O2a—C9a1.433 (3)O2b—C9b1.427 (4)
O2a—C8a1.435 (4)O2b—C8b1.436 (3)
O3a—C11a1.438 (4)O3b—C11b1.430 (3)
O3a—C10a1.441 (3)O3b—C10b1.437 (3)
C1a—C6a1.394 (4)C1b—C2b1.400 (4)
C1a—C2a1.401 (4)C1b—C6b1.405 (4)
C2a—C3a1.395 (4)C2b—C3b1.394 (4)
C2a—H2a0.9500C2b—H2b0.9500
C3a—C4a1.396 (5)C3b—C4b1.388 (5)
C3a—H3a0.9500C3b—H3b0.9500
C4a—C5a1.392 (5)C4b—C5b1.387 (5)
C4a—H4a0.9500C4b—H4b0.9500
C5a—C6a1.403 (4)C5b—C6b1.397 (4)
C5a—H5a0.9500C5b—H5b0.9500
C6a—H6a0.9500C6b—H6b0.9500
C7a—C8a1.502 (4)C7b—C8b1.512 (4)
C7a—H7a10.9900C7b—H7b10.9900
C7a—H7a20.9900C7b—H7b20.9900
C8a—H8a10.9900C8b—H8b10.9900
C8a—H8a20.9900C8b—H8b20.9900
C9a—C10a1.514 (4)C9b—C10b1.508 (4)
C9a—H9a10.9900C9b—H9b10.9900
C9a—H9a20.9900C9b—H9b20.9900
C10a—H10a0.9900C10b—H10c0.9900
C10a—H10b0.9900C10b—H10d0.9900
C11a—C12a1.511 (4)C11b—C12b1.519 (4)
C11a—H11a0.9900C11b—H11c0.9900
C11a—H11b0.9900C11b—H11d0.9900
C12a—O1aii1.431 (3)C12b—O1biv1.432 (4)
C12a—H12a0.9900C12b—H12c0.9900
C12a—H12b0.9900C12b—H12d0.9900
C1a—Sn1a—C1ai180.0 (2)C1b—Sn1b—C1biii180.0 (1)
C1a—Sn1a—O1wa90.03 (9)C1b—Sn1b—O1wb89.49 (9)
C1a—Sn1a—O1wai89.97 (9)C1b—Sn1b—O1wbiii90.51 (9)
C1a—Sn1a—Cl1a89.72 (7)C1b—Sn1b—Cl1b90.07 (7)
C1a—Sn1a—Cl1ai90.28 (7)C1b—Sn1b—Cl1biii89.93 (7)
C1ai—Sn1a—O1wa89.97 (9)C1biii—Sn1b—O1wb90.51 (9)
C1ai—Sn1a—O1wai90.03 (9)C1biii—Sn1b—O1wbiii89.49 (9)
C1ai—Sn1a—Cl1a90.28 (7)C1biii—Sn1b—Cl1b89.93 (7)
C1ai—Sn1a—Cl1ai89.72 (7)C1biii—Sn1b—Cl1biii90.07 (7)
O1wa—Sn1a—O1wai180.0 (1)O1wb—Sn1b—O1wbiii180.0
O1wa—Sn1a—Cl1a89.87 (5)O1wb—Sn1b—Cl1b90.31 (5)
O1wai—Sn1a—Cl1a90.13 (5)O1wb—Sn1b—Cl1biii89.69 (5)
O1wa—Sn1a—Cl1ai90.13 (5)O1wbiii—Sn1b—Cl1b89.69 (5)
O1wai—Sn1a—Cl1ai89.87 (5)O1wbiii—Sn1b—Cl1biii90.31 (5)
Cl1a—Sn1a—Cl1ai180.0Cl1b—Sn1b—Cl1biii180.0
C12aii—O1a—C7a112.8 (2)C12biv—O1b—C7b113.9 (2)
C9a—O2a—C8a113.2 (2)C9b—O2b—C8b111.7 (2)
C11a—O3a—C10a113.3 (2)C11b—O3b—C10b112.6 (2)
Sn1a—O1wa—H1a1121 (2)Sn1b—O1wb—H1b1120 (2)
Sn1a—O1wa—H1a2118 (2)Sn1b—O1wb—H1b2118 (2)
H1a1—O1wa—H1a2107 (3)H1b1—O1wb—H1b2106 (3)
C6a—C1a—C2a118.8 (3)C2b—C1b—C6b118.2 (3)
C6a—C1a—Sn1a121.5 (2)C2b—C1b—Sn1b121.6 (2)
C2a—C1a—Sn1a119.7 (2)C6b—C1b—Sn1b120.2 (2)
C3a—C2a—C1a120.9 (3)C3b—C2b—C1b120.9 (3)
C3a—C2a—H2a119.6C3b—C2b—H2b119.6
C1a—C2a—H2a119.6C1b—C2b—H2b119.6
C2a—C3a—C4a119.9 (3)C4b—C3b—C2b120.4 (3)
C2a—C3a—H3a120.1C4b—C3b—H3b119.8
C4a—C3a—H3a120.1C2b—C3b—H3b119.8
C5a—C4a—C3a119.8 (3)C5b—C4b—C3b119.4 (3)
C5a—C4a—H4a120.1C5b—C4b—H4b120.3
C3a—C4a—H4a120.1C3b—C4b—H4b120.3
C4a—C5a—C6a120.1 (3)C4b—C5b—C6b120.6 (3)
C4a—C5a—H5a120.0C4b—C5b—H5b119.7
C6a—C5a—H5a120.0C6b—C5b—H5b119.7
C1a—C6a—C5a120.5 (3)C5b—C6b—C1b120.4 (3)
C1a—C6a—H6a119.8C5b—C6b—H6b119.8
C5a—C6a—H6a119.8C1b—C6b—H6b119.8
O1a—C7a—C8a108.8 (2)O1b—C7b—C8b114.7 (2)
O1a—C7a—H7a1109.9O1b—C7b—H7b1108.6
C8a—C7a—H7a1109.9C8b—C7b—H7b1108.6
O1a—C7a—H7a2109.9O1b—C7b—H7b2108.6
C8a—C7a—H7a2109.9C8b—C7b—H7b2108.6
H7a1—C7a—H7a2108.3H7b1—C7b—H7b2107.6
O2a—C8a—C7a108.6 (3)O2b—C8b—C7b109.0 (2)
O2a—C8a—H8a1110.0O2b—C8b—H8b1109.9
C7a—C8a—H8a1110.0C7b—C8b—H8b1109.9
O2a—C8a—H8a2110.0O2b—C8b—H8b2109.9
C7a—C8a—H8a2110.0C7b—C8b—H8b2109.9
H8a1—C8a—H8a2108.4H8b1—C8b—H8b2108.3
O2a—C9a—C10a108.4 (2)O2b—C9b—C10b108.2 (2)
O2a—C9a—H9a1110.0O2b—C9b—H9b1110.1
C10a—C9a—H9a1110.0C10b—C9b—H9b1110.1
O2a—C9a—H9a2110.0O2b—C9b—H9b2110.1
C10a—C9a—H9a2110.0C10b—C9b—H9b2110.1
H9a1—C9a—H9a2108.4H9b1—C9b—H9b2108.4
O3a—C10a—C9a113.2 (2)O3b—C10b—C9b107.8 (2)
O3a—C10a—H10a108.9O3b—C10b—H10c110.1
C9a—C10a—H10a108.9C9b—C10b—H10c110.1
O3a—C10a—H10b108.9O3b—C10b—H10d110.1
C9a—C10a—H10b108.9C9b—C10b—H10d110.1
H10a—C10a—H10b107.7H10c—C10b—H10d108.5
O3a—C11a—C12a108.9 (2)O3b—C11b—C12b107.7 (2)
O3a—C11a—H11a109.9O3b—C11b—H11c110.2
C12a—C11a—H11a109.9C12b—C11b—H11c110.2
O3a—C11a—H11b109.9O3b—C11b—H11d110.2
C12a—C11a—H11b109.9C12b—C11b—H11d110.2
H11a—C11a—H11b108.3H11c—C11b—H11d108.5
O1aii—C12a—C11a108.3 (2)O1biv—C12b—C11b107.9 (2)
O1aii—C12a—H12a110.0O1biv—C12b—H12c110.1
C11a—C12a—H12a110.0C11b—C12b—H12c110.1
O1aii—C12a—H12b110.0O1biv—C12b—H12d110.1
C11a—C12a—H12b110.0C11b—C12b—H12d110.1
H12a—C12a—H12b108.4H12c—C12b—H12d108.4
O1wai—Sn1a—C1a—C6a129.7 (2)O1wbiii—Sn1b—C1b—C2b125.3 (2)
O1wa—Sn1a—C1a—C6a50.3 (2)O1wb—Sn1b—C1b—C2b54.7 (2)
Cl1a—Sn1a—C1a—C6a140.2 (2)Cl1biii—Sn1b—C1b—C2b35.0 (2)
Cl1ai—Sn1a—C1a—C6a39.8 (2)Cl1b—Sn1b—C1b—C2b145.0 (2)
O1wai—Sn1a—C1a—C2a52.1 (2)O1wbiii—Sn1b—C1b—C6b56.9 (2)
O1wa—Sn1a—C1a—C2a127.9 (2)O1wb—Sn1b—C1b—C6b123.1 (2)
Cl1a—Sn1a—C1a—C2a38.1 (2)Cl1biii—Sn1b—C1b—C6b147.2 (2)
Cl1ai—Sn1a—C1a—C2a141.9 (2)Cl1b—Sn1b—C1b—C6b32.8 (2)
C6a—C1a—C2a—C3a0.3 (5)C6b—C1b—C2b—C3b0.6 (5)
Sn1a—C1a—C2a—C3a177.9 (2)Sn1b—C1b—C2b—C3b177.3 (2)
C1a—C2a—C3a—C4a0.0 (5)C1b—C2b—C3b—C4b0.2 (5)
C2a—C3a—C4a—C5a0.2 (5)C2b—C3b—C4b—C5b0.7 (5)
C3a—C4a—C5a—C6a0.0 (5)C3b—C4b—C5b—C6b1.3 (5)
C2a—C1a—C6a—C5a0.5 (4)C4b—C5b—C6b—C1b1.0 (5)
Sn1a—C1a—C6a—C5a177.8 (2)C2b—C1b—C6b—C5b0.0 (5)
C4a—C5a—C6a—C1a0.3 (5)Sn1b—C1b—C6b—C5b177.9 (2)
C12aii—O1a—C7a—C8a169.2 (3)C12biv—O1b—C7b—C8b64.8 (3)
C9a—O2a—C8a—C7a176.2 (2)C9b—O2b—C8b—C7b162.7 (2)
O1a—C7a—C8a—O2a64.2 (3)O1b—C7b—C8b—O2b63.1 (3)
C8a—O2a—C9a—C10a153.9 (3)C8b—O2b—C9b—C10b179.2 (2)
C11a—O3a—C10a—C9a68.5 (3)C11b—O3b—C10b—C9b174.6 (3)
O2a—C9a—C10a—O3a65.3 (3)O2b—C9b—C10b—O3b58.6 (3)
C10a—O3a—C11a—C12a168.2 (2)C10b—O3b—C11b—C12b173.7 (3)
O3a—C11a—C12a—O1aii61.0 (3)O3b—C11b—C12b—O1biv62.1 (3)
Symmetry codes: (i) x, y, z; (ii) x+1, y, z; (iii) x+1, y+1, z+1; (iv) x, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1wa—H1a1···O1a0.84 (1)2.00 (1)2.823 (3)165 (3)
O1wa—H1a2···O3a0.84 (1)1.93 (1)2.766 (3)172 (3)
O1wb—H1b1···O1b0.84 (1)2.02 (1)2.842 (3)165 (3)
O1wb—H1b2···O3b0.84 (1)2.11 (2)2.891 (3)155 (3)
 

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