In the title complex, bis[μ-salicylaldehyde (1-carboxylatoethylidene)hydrazonato(2−)]bis[ethanolbis(4-fluorobenzyl)tin(IV)], [Sn2(C7H6F)4(C10H8N2O4)2(C2H6O)2], each central SnIV atom has a distorted pentagonal–bipyramidal configuration, being coordinated by three O atoms and one N atom from the pyruvic acid salicylhydrazone ligands, one O atom from an ethanol molecule and two axial C atoms from trans 4-fluorobenzyl groups, thus forming a dimeric molecule, which sits on a crystallographic center of symmetry. Intramolecular hydrogen bonds contribute to the stability and compactness of the crystal structure.
Supporting information
CCDC reference: 271871
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.006 Å
- R factor = 0.029
- wR factor = 0.080
- Data-to-parameter ratio = 13.7
checkCIF/PLATON results
No syntax errors found
Alert level B
PLAT430_ALERT_2_B Short Inter D...A Contact O1 .. O1 .. 2.68 Ang.
Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 2.00 Ratio
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ?
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C22
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C3
0 ALERT level A = In general: serious problem
1 ALERT level B = Potentially serious problem
8 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
2 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
2 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: SMART (Siemens, 1996); cell refinement: SMART; data reduction: SAINT (Siemens, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.
bis[µ-salicylaldehyde
(1-carboxylatoethylidene)hydrazonato(2-)]bis[ethanolbis(4-fluorobenzyl)tin(IV)]
top
Crystal data top
[Sn2(C7H6F)4(C10H8N2O4)2(C2H6O)2] | F(000) = 1216 |
Mr = 1206.36 | Dx = 1.569 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
a = 11.063 (2) Å | Cell parameters from 5043 reflections |
b = 18.313 (3) Å | θ = 2.4–26.9° |
c = 12.615 (2) Å | µ = 1.05 mm−1 |
β = 92.578 (2)° | T = 298 K |
V = 2553.2 (8) Å3 | Block, colorless |
Z = 2 | 0.38 × 0.35 × 0.31 mm |
Data collection top
Siemens SMART CCD area-detector diffractometer | 4506 independent reflections |
Radiation source: fine-focus sealed tube | 3421 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.031 |
φ and ω scans | θmax = 25.0°, θmin = 2.0° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −6→13 |
Tmin = 0.676, Tmax = 0.721 | k = −21→21 |
13036 measured reflections | l = −15→15 |
Refinement top
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)] = 0.029 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.080 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.00 | w = 1/[σ2(Fo2) + (0.0422P)2 + 0.5048P] where P = (Fo2 + 2Fc2)/3 |
4506 reflections | (Δ/σ)max < 0.001 |
329 parameters | Δρmax = 0.54 e Å−3 |
1 restraint | Δρmin = −0.42 e Å−3 |
Special details top
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F2, conventional
R-factors R are based on F, with F set to zero for
negative F2. The threshold expression of F2 >
σ(F2) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F2 are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Sn1 | 0.42128 (2) | 0.104071 (12) | −0.038593 (17) | 0.03607 (9) | |
F1 | 0.6116 (3) | 0.41626 (14) | 0.1754 (2) | 0.1005 (10) | |
F2 | −0.1055 (4) | 0.1082 (2) | 0.2109 (4) | 0.1632 (18) | |
N1 | 0.3789 (2) | 0.14960 (14) | 0.1214 (2) | 0.0382 (7) | |
N2 | 0.3338 (3) | 0.21916 (14) | 0.1241 (2) | 0.0428 (7) | |
O1 | 0.4732 (2) | 0.02020 (11) | 0.09834 (16) | 0.0391 (5) | |
O2 | 0.4843 (3) | 0.00509 (13) | 0.27392 (18) | 0.0580 (7) | |
O3 | 0.3340 (2) | 0.20964 (12) | −0.05877 (17) | 0.0416 (6) | |
O4 | 0.2924 (3) | 0.34451 (16) | 0.2079 (2) | 0.0754 (9) | |
H4 | 0.3098 | 0.3010 | 0.2075 | 0.113* | |
O5 | 0.4174 (3) | 0.12091 (14) | −0.22872 (19) | 0.0498 (6) | |
C1 | 0.4569 (3) | 0.04038 (18) | 0.1938 (3) | 0.0400 (8) | |
C2 | 0.4031 (3) | 0.11518 (18) | 0.2082 (3) | 0.0418 (8) | |
C3 | 0.3835 (5) | 0.1446 (2) | 0.3153 (3) | 0.0704 (13) | |
H3A | 0.3489 | 0.1926 | 0.3091 | 0.106* | |
H3B | 0.4595 | 0.1473 | 0.3550 | 0.106* | |
H3C | 0.3294 | 0.1132 | 0.3514 | 0.106* | |
C4 | 0.3172 (3) | 0.24572 (18) | 0.0263 (3) | 0.0399 (8) | |
C5 | 0.2791 (3) | 0.32303 (18) | 0.0182 (3) | 0.0437 (8) | |
C6 | 0.2721 (4) | 0.3681 (2) | 0.1071 (4) | 0.0556 (10) | |
C7 | 0.2418 (4) | 0.4412 (2) | 0.0932 (4) | 0.0724 (13) | |
H7 | 0.2361 | 0.4714 | 0.1520 | 0.087* | |
C8 | 0.2204 (5) | 0.4688 (2) | −0.0062 (5) | 0.0820 (15) | |
H8 | 0.1998 | 0.5177 | −0.0144 | 0.098* | |
C9 | 0.2286 (4) | 0.4257 (2) | −0.0942 (4) | 0.0724 (13) | |
H9 | 0.2142 | 0.4451 | −0.1617 | 0.087* | |
C10 | 0.2586 (4) | 0.3533 (2) | −0.0815 (3) | 0.0541 (10) | |
H10 | 0.2653 | 0.3240 | −0.1411 | 0.065* | |
C11 | 0.6044 (3) | 0.14559 (17) | −0.0328 (3) | 0.0422 (8) | |
H11A | 0.6569 | 0.1112 | 0.0054 | 0.051* | |
H11B | 0.6319 | 0.1497 | −0.1045 | 0.051* | |
C12 | 0.6141 (3) | 0.21865 (18) | 0.0201 (3) | 0.0400 (8) | |
C13 | 0.5891 (3) | 0.28282 (19) | −0.0339 (3) | 0.0511 (9) | |
H13 | 0.5730 | 0.2813 | −0.1068 | 0.061* | |
C14 | 0.5877 (4) | 0.3489 (2) | 0.0176 (4) | 0.0631 (12) | |
H14 | 0.5688 | 0.3915 | −0.0196 | 0.076* | |
C15 | 0.6144 (4) | 0.3508 (2) | 0.1247 (4) | 0.0650 (12) | |
C16 | 0.6446 (4) | 0.2901 (2) | 0.1808 (3) | 0.0644 (11) | |
H16 | 0.6653 | 0.2929 | 0.2529 | 0.077* | |
C17 | 0.6439 (3) | 0.2236 (2) | 0.1286 (3) | 0.0527 (10) | |
H17 | 0.6637 | 0.1814 | 0.1666 | 0.063* | |
C18 | 0.2570 (3) | 0.04476 (18) | −0.0730 (3) | 0.0427 (8) | |
H18A | 0.2269 | 0.0568 | −0.1443 | 0.051* | |
H18B | 0.2745 | −0.0071 | −0.0711 | 0.051* | |
C19 | 0.1605 (3) | 0.06108 (18) | 0.0033 (3) | 0.0438 (9) | |
C20 | 0.1518 (4) | 0.0220 (2) | 0.0962 (3) | 0.0608 (11) | |
H20 | 0.2064 | −0.0155 | 0.1117 | 0.073* | |
C21 | 0.0627 (5) | 0.0377 (3) | 0.1668 (4) | 0.0846 (15) | |
H21 | 0.0571 | 0.0113 | 0.2294 | 0.102* | |
C22 | −0.0161 (5) | 0.0926 (3) | 0.1422 (5) | 0.0931 (19) | |
C23 | −0.0128 (5) | 0.1315 (3) | 0.0524 (6) | 0.0951 (19) | |
H23 | −0.0691 | 0.1681 | 0.0371 | 0.114* | |
C24 | 0.0771 (4) | 0.1154 (2) | −0.0168 (4) | 0.0691 (13) | |
H24 | 0.0811 | 0.1424 | −0.0791 | 0.083* | |
C25 | 0.4654 (4) | 0.1798 (2) | −0.2890 (3) | 0.0519 (10) | |
H25A | 0.5508 | 0.1856 | −0.2701 | 0.062* | |
H25B | 0.4247 | 0.2249 | −0.2715 | 0.062* | |
C26 | 0.4492 (4) | 0.1659 (2) | −0.4062 (3) | 0.0571 (10) | |
H26A | 0.4820 | 0.2060 | −0.4445 | 0.086* | |
H26B | 0.3646 | 0.1610 | −0.4252 | 0.086* | |
H26C | 0.4906 | 0.1218 | −0.4238 | 0.086* | |
H1 | 0.440 (4) | 0.0813 (15) | −0.255 (3) | 0.083 (16)* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Sn1 | 0.03965 (15) | 0.03705 (14) | 0.03161 (14) | −0.00010 (11) | 0.00268 (10) | −0.00146 (10) |
F1 | 0.110 (2) | 0.0674 (16) | 0.124 (2) | −0.0068 (16) | 0.000 (2) | −0.0499 (17) |
F2 | 0.128 (3) | 0.169 (4) | 0.202 (4) | −0.026 (2) | 0.117 (3) | −0.072 (3) |
N1 | 0.0418 (17) | 0.0388 (16) | 0.0342 (16) | 0.0002 (13) | 0.0050 (13) | −0.0031 (12) |
N2 | 0.0489 (18) | 0.0400 (16) | 0.0400 (16) | 0.0052 (14) | 0.0064 (14) | −0.0025 (13) |
O1 | 0.0493 (14) | 0.0412 (12) | 0.0273 (12) | 0.0031 (11) | 0.0058 (11) | −0.0020 (10) |
O2 | 0.095 (2) | 0.0497 (15) | 0.0299 (13) | 0.0100 (15) | 0.0040 (14) | 0.0044 (11) |
O3 | 0.0487 (14) | 0.0404 (13) | 0.0357 (13) | 0.0048 (11) | 0.0029 (11) | −0.0018 (10) |
O4 | 0.101 (2) | 0.0654 (19) | 0.0600 (19) | 0.0194 (17) | 0.0134 (18) | −0.0151 (15) |
O5 | 0.0660 (18) | 0.0480 (16) | 0.0357 (13) | 0.0040 (14) | 0.0061 (13) | 0.0005 (12) |
C1 | 0.043 (2) | 0.0419 (19) | 0.0347 (19) | −0.0070 (16) | 0.0031 (16) | −0.0010 (16) |
C2 | 0.047 (2) | 0.044 (2) | 0.0353 (19) | −0.0013 (16) | 0.0069 (16) | −0.0001 (16) |
C3 | 0.114 (4) | 0.061 (3) | 0.037 (2) | 0.019 (3) | 0.012 (2) | −0.0006 (19) |
C4 | 0.0316 (18) | 0.0401 (19) | 0.048 (2) | 0.0012 (15) | 0.0037 (16) | 0.0002 (16) |
C5 | 0.0341 (19) | 0.0405 (19) | 0.057 (2) | 0.0048 (16) | 0.0055 (17) | −0.0025 (17) |
C6 | 0.047 (2) | 0.050 (2) | 0.071 (3) | 0.0053 (19) | 0.013 (2) | −0.008 (2) |
C7 | 0.077 (3) | 0.053 (3) | 0.089 (3) | 0.012 (2) | 0.021 (3) | −0.013 (2) |
C8 | 0.082 (4) | 0.046 (2) | 0.120 (4) | 0.021 (2) | 0.019 (3) | 0.006 (3) |
C9 | 0.086 (3) | 0.050 (2) | 0.082 (3) | 0.014 (2) | 0.008 (3) | 0.013 (2) |
C10 | 0.057 (2) | 0.046 (2) | 0.059 (2) | 0.0099 (19) | 0.002 (2) | 0.0031 (19) |
C11 | 0.040 (2) | 0.0412 (19) | 0.045 (2) | −0.0006 (16) | 0.0053 (17) | 0.0014 (16) |
C12 | 0.0336 (18) | 0.045 (2) | 0.042 (2) | −0.0053 (16) | 0.0037 (16) | −0.0014 (16) |
C13 | 0.051 (2) | 0.047 (2) | 0.055 (2) | −0.0092 (18) | −0.0029 (19) | 0.0003 (18) |
C14 | 0.049 (2) | 0.054 (3) | 0.086 (3) | −0.004 (2) | −0.008 (2) | −0.005 (2) |
C15 | 0.056 (3) | 0.052 (3) | 0.086 (3) | −0.007 (2) | 0.003 (2) | −0.026 (2) |
C16 | 0.065 (3) | 0.071 (3) | 0.057 (3) | −0.012 (2) | 0.000 (2) | −0.020 (2) |
C17 | 0.049 (2) | 0.061 (2) | 0.048 (2) | −0.009 (2) | −0.0026 (19) | −0.0006 (19) |
C18 | 0.044 (2) | 0.0438 (19) | 0.0406 (19) | −0.0014 (16) | 0.0001 (17) | −0.0027 (16) |
C19 | 0.041 (2) | 0.042 (2) | 0.049 (2) | −0.0089 (17) | 0.0024 (17) | −0.0037 (17) |
C20 | 0.051 (2) | 0.073 (3) | 0.058 (3) | −0.012 (2) | 0.007 (2) | 0.004 (2) |
C21 | 0.076 (4) | 0.108 (4) | 0.071 (3) | −0.034 (3) | 0.021 (3) | −0.005 (3) |
C22 | 0.073 (4) | 0.093 (4) | 0.117 (5) | −0.024 (3) | 0.053 (4) | −0.046 (4) |
C23 | 0.062 (3) | 0.058 (3) | 0.168 (6) | 0.001 (2) | 0.041 (4) | −0.021 (4) |
C24 | 0.058 (3) | 0.048 (2) | 0.102 (4) | 0.004 (2) | 0.017 (3) | 0.006 (2) |
C25 | 0.065 (3) | 0.050 (2) | 0.040 (2) | −0.0012 (19) | 0.0031 (19) | 0.0066 (17) |
C26 | 0.068 (3) | 0.067 (3) | 0.037 (2) | 0.007 (2) | 0.009 (2) | 0.0026 (18) |
Geometric parameters (Å, º) top
Sn1—C18 | 2.145 (3) | C10—H10 | 0.9300 |
Sn1—C11 | 2.162 (3) | C11—C12 | 1.497 (4) |
Sn1—O3 | 2.171 (2) | C11—H11A | 0.9700 |
Sn1—N1 | 2.253 (3) | C11—H11B | 0.9700 |
Sn1—O1 | 2.363 (2) | C12—C13 | 1.380 (5) |
Sn1—O5 | 2.417 (2) | C12—C17 | 1.396 (5) |
Sn1—O1i | 2.681 (2) | C13—C14 | 1.373 (5) |
F1—C15 | 1.359 (4) | C13—H13 | 0.9300 |
F2—C22 | 1.374 (6) | C14—C15 | 1.370 (6) |
N1—C2 | 1.281 (4) | C14—H14 | 0.9300 |
N1—N2 | 1.369 (4) | C15—C16 | 1.353 (6) |
N2—C4 | 1.331 (4) | C16—C17 | 1.383 (5) |
O1—C1 | 1.281 (4) | C16—H16 | 0.9300 |
O2—C1 | 1.226 (4) | C17—H17 | 0.9300 |
O3—C4 | 1.281 (4) | C18—C19 | 1.499 (5) |
O4—C6 | 1.353 (5) | C18—H18A | 0.9700 |
O4—H4 | 0.8200 | C18—H18B | 0.9700 |
O5—C25 | 1.436 (4) | C19—C24 | 1.374 (5) |
O5—H1 | 0.839 (19) | C19—C20 | 1.381 (5) |
C1—C2 | 1.508 (5) | C20—C21 | 1.388 (6) |
C2—C3 | 1.480 (5) | C20—H20 | 0.9300 |
C3—H3A | 0.9600 | C21—C22 | 1.358 (7) |
C3—H3B | 0.9600 | C21—H21 | 0.9300 |
C3—H3C | 0.9600 | C22—C23 | 1.339 (8) |
C4—C5 | 1.479 (4) | C23—C24 | 1.384 (7) |
C5—C10 | 1.383 (5) | C23—H23 | 0.9300 |
C5—C6 | 1.397 (5) | C24—H24 | 0.9300 |
C6—C7 | 1.389 (6) | C25—C26 | 1.503 (5) |
C7—C8 | 1.363 (6) | C25—H25A | 0.9700 |
C7—H7 | 0.9300 | C25—H25B | 0.9700 |
C8—C9 | 1.369 (6) | C26—H26A | 0.9600 |
C8—H8 | 0.9300 | C26—H26B | 0.9600 |
C9—C10 | 1.374 (5) | C26—H26C | 0.9600 |
C9—H9 | 0.9300 | | |
| | | |
C18—Sn1—C11 | 165.71 (13) | C9—C10—H10 | 119.3 |
C18—Sn1—O3 | 93.38 (11) | C5—C10—H10 | 119.3 |
C11—Sn1—O3 | 95.85 (11) | C12—C11—Sn1 | 112.2 (2) |
C18—Sn1—N1 | 99.22 (12) | C12—C11—H11A | 109.2 |
C11—Sn1—N1 | 94.15 (12) | Sn1—C11—H11A | 109.2 |
O3—Sn1—N1 | 70.49 (9) | C12—C11—H11B | 109.2 |
C18—Sn1—O1 | 89.69 (11) | Sn1—C11—H11B | 109.2 |
C11—Sn1—O1 | 90.43 (11) | H11A—C11—H11B | 107.9 |
O3—Sn1—O1 | 139.18 (8) | C13—C12—C17 | 117.5 (3) |
N1—Sn1—O1 | 68.85 (8) | C13—C12—C11 | 122.1 (3) |
C18—Sn1—O5 | 83.48 (11) | C17—C12—C11 | 120.3 (3) |
C11—Sn1—O5 | 87.91 (11) | C14—C13—C12 | 121.5 (4) |
O3—Sn1—O5 | 77.40 (8) | C14—C13—H13 | 119.2 |
N1—Sn1—O5 | 147.87 (9) | C12—C13—H13 | 119.2 |
O1—Sn1—O5 | 143.27 (8) | C15—C14—C13 | 118.9 (4) |
C18—Sn1—O1i | 83.62 (10) | C15—C14—H14 | 120.6 |
C11—Sn1—O1i | 83.61 (10) | C13—C14—H14 | 120.6 |
O3—Sn1—O1i | 156.91 (7) | C16—C15—F1 | 119.3 (4) |
N1—Sn1—O1i | 132.60 (8) | C16—C15—C14 | 122.1 (4) |
O1—Sn1—O1i | 63.85 (8) | F1—C15—C14 | 118.6 (4) |
O5—Sn1—O1i | 79.51 (8) | C15—C16—C17 | 118.6 (4) |
C2—N1—N2 | 119.9 (3) | C15—C16—H16 | 120.7 |
C2—N1—Sn1 | 122.7 (2) | C17—C16—H16 | 120.7 |
N2—N1—Sn1 | 117.21 (19) | C16—C17—C12 | 121.3 (4) |
C4—N2—N1 | 110.7 (3) | C16—C17—H17 | 119.4 |
C1—O1—Sn1 | 117.4 (2) | C12—C17—H17 | 119.4 |
C4—O3—Sn1 | 116.2 (2) | C19—C18—Sn1 | 113.0 (2) |
C6—O4—H4 | 109.5 | C19—C18—H18A | 109.0 |
C25—O5—Sn1 | 129.1 (2) | Sn1—C18—H18A | 109.0 |
C25—O5—H1 | 109 (3) | C19—C18—H18B | 109.0 |
Sn1—O5—H1 | 107 (3) | Sn1—C18—H18B | 109.0 |
O2—C1—O1 | 125.7 (3) | H18A—C18—H18B | 107.8 |
O2—C1—C2 | 117.7 (3) | C24—C19—C20 | 117.4 (4) |
O1—C1—C2 | 116.6 (3) | C24—C19—C18 | 121.2 (4) |
N1—C2—C3 | 124.6 (3) | C20—C19—C18 | 121.4 (3) |
N1—C2—C1 | 114.4 (3) | C19—C20—C21 | 121.1 (4) |
C3—C2—C1 | 121.1 (3) | C19—C20—H20 | 119.5 |
C2—C3—H3A | 109.5 | C21—C20—H20 | 119.5 |
C2—C3—H3B | 109.5 | C22—C21—C20 | 118.3 (5) |
H3A—C3—H3B | 109.5 | C22—C21—H21 | 120.9 |
C2—C3—H3C | 109.5 | C20—C21—H21 | 120.9 |
H3A—C3—H3C | 109.5 | C23—C22—C21 | 123.1 (5) |
H3B—C3—H3C | 109.5 | C23—C22—F2 | 118.1 (6) |
O3—C4—N2 | 124.7 (3) | C21—C22—F2 | 118.8 (6) |
O3—C4—C5 | 119.2 (3) | C22—C23—C24 | 117.9 (5) |
N2—C4—C5 | 116.2 (3) | C22—C23—H23 | 121.0 |
C10—C5—C6 | 118.7 (3) | C24—C23—H23 | 121.0 |
C10—C5—C4 | 118.7 (3) | C19—C24—C23 | 122.2 (5) |
C6—C5—C4 | 122.4 (3) | C19—C24—H24 | 118.9 |
O4—C6—C7 | 117.1 (4) | C23—C24—H24 | 118.9 |
O4—C6—C5 | 123.6 (3) | O5—C25—C26 | 111.2 (3) |
C7—C6—C5 | 119.3 (4) | O5—C25—H25A | 109.4 |
C8—C7—C6 | 120.3 (4) | C26—C25—H25A | 109.4 |
C8—C7—H7 | 119.9 | O5—C25—H25B | 109.4 |
C6—C7—H7 | 119.9 | C26—C25—H25B | 109.4 |
C7—C8—C9 | 121.2 (4) | H25A—C25—H25B | 108.0 |
C7—C8—H8 | 119.4 | C25—C26—H26A | 109.5 |
C9—C8—H8 | 119.4 | C25—C26—H26B | 109.5 |
C8—C9—C10 | 119.1 (4) | H26A—C26—H26B | 109.5 |
C8—C9—H9 | 120.5 | C25—C26—H26C | 109.5 |
C10—C9—H9 | 120.5 | H26A—C26—H26C | 109.5 |
C9—C10—C5 | 121.4 (4) | H26B—C26—H26C | 109.5 |
Symmetry code: (i) −x+1, −y, −z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O4—H4···N2 | 0.82 | 1.86 | 2.577 (4) | 146 |
O5—H1···O2i | 0.84 (2) | 1.81 (2) | 2.625 (4) | 163 (4) |
Symmetry code: (i) −x+1, −y, −z. |