The title compound, (C
10H
16N)
2[PdCl
4], has been crystallized from acetonitrile. The asymmetric unit contains two 1-butyl-4-methylpyridinium cations in general positions and two halves of tetrachloropalladate(II) anions, with the metal atoms lying on inversion centers. The Pd atoms are four-coordinated in a slightly distorted square-planar geometry. The crystal structure is stabilized by numerous weak C—H
Cl interactions.
Supporting information
CCDC reference: 608371
Key indicators
- Single-crystal X-ray study
- T = 100 K
- Mean (C-C) = 0.003 Å
- R factor = 0.034
- wR factor = 0.099
- Data-to-parameter ratio = 43.2
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C25
PLAT480_ALERT_4_C Long H...A H-Bond Reported H11 .. CL11 .. 2.89 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H13 .. CL21 .. 2.86 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H14 .. CL21 .. 2.94 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H16B .. CL12 .. 2.86 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H20 .. CL22 .. 2.86 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H23 .. CL11 .. 2.89 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H23 .. CL12 .. 2.85 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H24 .. CL11 .. 2.85 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H26A .. CL21 .. 2.84 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H26A .. CL22 .. 2.85 Ang.
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
12 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
0 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
11 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: CrysAlis CCD (Oxford Diffraction, 2003); cell refinement: CrysAlis RED (Oxford Diffraction, 2003); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.
Bis(1-butyl-4-methylpyridinium) tetrachloropalladate(II)
top
Crystal data top
(C10H16N)2[PdCl4] | Z = 2 |
Mr = 548.68 | F(000) = 560 |
Triclinic, P1 | Dx = 1.462 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 8.710 (3) Å | Cell parameters from 22310 reflections |
b = 8.818 (3) Å | θ = 4.8–35.0° |
c = 16.354 (5) Å | µ = 1.18 mm−1 |
α = 95.54 (3)° | T = 100 K |
β = 94.03 (3)° | Block, red–brown |
γ = 90.99 (3)° | 0.18 × 0.15 × 0.11 mm |
V = 1246.7 (7) Å3 | |
Data collection top
Kuma KM-4 CCD diffractometer | 10839 independent reflections |
Radiation source: fine-focus sealed tube | 8173 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.035 |
φ and ω scans | θmax = 35.0°, θmin = 4.2° |
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2003) | h = −14→12 |
Tmin = 0.819, Tmax = 0.903 | k = −14→14 |
28914 measured reflections | l = −26→26 |
Refinement top
Refinement on F2 | Primary atom site location: heavy-atom method |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.034 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.099 | H-atom parameters constrained |
S = 1.06 | w = 1/[σ2(Fo2) + (0.0511P)2 + 0.5036P] where P = (Fo2 + 2Fc2)/3 |
10839 reflections | (Δ/σ)max < 0.001 |
251 parameters | Δρmax = 2.52 e Å−3 |
0 restraints | Δρmin = −1.32 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 | |
Pd1 | 0.5000 | 0.5000 | 0.0000 | 0.01238 (5) | |
Pd2 | 0.5000 | 0.5000 | 0.5000 | 0.01214 (5) | |
Cl11 | 0.55327 (6) | 0.49695 (5) | 0.13945 (3) | 0.01732 (9) | |
Cl12 | 0.31709 (5) | 0.30693 (5) | 0.00210 (3) | 0.01813 (9) | |
Cl21 | 0.52687 (5) | 0.49036 (5) | 0.35986 (3) | 0.01676 (8) | |
Cl22 | 0.30175 (5) | 0.32022 (5) | 0.47753 (3) | 0.01771 (9) | |
N10 | 0.5608 (2) | 0.03945 (19) | 0.17362 (10) | 0.0187 (3) | |
C10 | 0.5545 (2) | −0.1105 (2) | 0.18625 (13) | 0.0207 (4) | |
H10 | 0.5887 | −0.1845 | 0.1459 | 0.025* | |
C11 | 0.4991 (3) | −0.1563 (2) | 0.25676 (13) | 0.0218 (4) | |
H11 | 0.4960 | −0.2615 | 0.2649 | 0.026* | |
C12 | 0.4470 (2) | −0.0487 (2) | 0.31679 (13) | 0.0211 (4) | |
C13 | 0.4542 (3) | 0.1044 (2) | 0.30204 (13) | 0.0230 (4) | |
H13 | 0.4191 | 0.1803 | 0.3412 | 0.028* | |
C14 | 0.5122 (3) | 0.1460 (2) | 0.23074 (13) | 0.0223 (4) | |
H14 | 0.5180 | 0.2507 | 0.2217 | 0.027* | |
C15 | 0.3865 (3) | −0.0977 (3) | 0.39388 (15) | 0.0307 (5) | |
H15A | 0.4660 | −0.1530 | 0.4233 | 0.046* | |
H15B | 0.2954 | −0.1644 | 0.3796 | 0.046* | |
H15C | 0.3583 | −0.0077 | 0.4291 | 0.046* | |
C16 | 0.6275 (3) | 0.0888 (2) | 0.09898 (12) | 0.0220 (4) | |
H16A | 0.5634 | 0.1696 | 0.0773 | 0.026* | |
H16B | 0.6248 | 0.0014 | 0.0560 | 0.026* | |
C17 | 0.7924 (3) | 0.1488 (3) | 0.11639 (14) | 0.0261 (4) | |
H17A | 0.8274 | 0.1868 | 0.0657 | 0.031* | |
H17B | 0.7939 | 0.2364 | 0.1591 | 0.031* | |
C18 | 0.9061 (3) | 0.0327 (3) | 0.14502 (16) | 0.0293 (5) | |
H18A | 0.8980 | −0.0595 | 0.1052 | 0.035* | |
H18B | 0.8784 | 0.0027 | 0.1990 | 0.035* | |
C19 | 1.0735 (3) | 0.0935 (4) | 0.15335 (19) | 0.0422 (7) | |
H19A | 1.1059 | 0.1116 | 0.0989 | 0.063* | |
H19B | 1.1403 | 0.0185 | 0.1772 | 0.063* | |
H19C | 1.0808 | 0.1893 | 0.1893 | 0.063* | |
N20 | −0.00894 (19) | 0.5087 (2) | 0.31236 (10) | 0.0190 (3) | |
C20 | 0.1409 (2) | 0.5029 (3) | 0.29500 (13) | 0.0222 (4) | |
H20 | 0.2150 | 0.4648 | 0.3327 | 0.027* | |
C21 | 0.1857 (2) | 0.5522 (3) | 0.22285 (14) | 0.0236 (4) | |
H21 | 0.2909 | 0.5481 | 0.2111 | 0.028* | |
C22 | 0.0783 (2) | 0.6080 (2) | 0.16674 (13) | 0.0208 (4) | |
C23 | −0.0743 (2) | 0.6131 (3) | 0.18684 (13) | 0.0232 (4) | |
H23 | −0.1504 | 0.6517 | 0.1504 | 0.028* | |
C24 | −0.1152 (2) | 0.5623 (3) | 0.25949 (13) | 0.0234 (4) | |
H24 | −0.2198 | 0.5651 | 0.2724 | 0.028* | |
C25 | 0.1250 (3) | 0.6590 (3) | 0.08688 (14) | 0.0275 (4) | |
H25A | 0.1697 | 0.5735 | 0.0546 | 0.041* | |
H25B | 0.0344 | 0.6941 | 0.0557 | 0.041* | |
H25C | 0.2014 | 0.7426 | 0.0982 | 0.041* | |
C26 | −0.0576 (2) | 0.4386 (3) | 0.38560 (12) | 0.0221 (4) | |
H26A | −0.1527 | 0.4866 | 0.4042 | 0.026* | |
H26B | 0.0238 | 0.4559 | 0.4311 | 0.026* | |
C27 | −0.0864 (3) | 0.2701 (3) | 0.36409 (13) | 0.0244 (4) | |
H27A | 0.0091 | 0.2238 | 0.3451 | 0.029* | |
H27B | −0.1667 | 0.2545 | 0.3179 | 0.029* | |
C28 | −0.1375 (3) | 0.1886 (3) | 0.43595 (15) | 0.0315 (5) | |
H28A | −0.2402 | 0.2244 | 0.4504 | 0.038* | |
H28B | −0.0641 | 0.2138 | 0.4846 | 0.038* | |
C29 | −0.1450 (3) | 0.0164 (3) | 0.41395 (18) | 0.0385 (6) | |
H29A | −0.0438 | −0.0187 | 0.3987 | 0.058* | |
H29B | −0.2214 | −0.0089 | 0.3675 | 0.058* | |
H29C | −0.1747 | −0.0339 | 0.4616 | 0.058* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Pd1 | 0.01328 (9) | 0.01129 (8) | 0.01248 (8) | 0.00079 (6) | 0.00137 (6) | 0.00023 (6) |
Pd2 | 0.01148 (9) | 0.01208 (8) | 0.01270 (8) | 0.00048 (6) | 0.00051 (6) | 0.00058 (6) |
Cl11 | 0.0233 (2) | 0.01607 (19) | 0.01254 (18) | 0.00004 (15) | 0.00081 (15) | 0.00154 (14) |
Cl12 | 0.0177 (2) | 0.01607 (19) | 0.0203 (2) | −0.00343 (15) | 0.00228 (15) | 0.00057 (15) |
Cl21 | 0.0172 (2) | 0.0204 (2) | 0.01269 (18) | −0.00074 (15) | 0.00102 (14) | 0.00196 (15) |
Cl22 | 0.0155 (2) | 0.0170 (2) | 0.0202 (2) | −0.00332 (15) | 0.00197 (15) | −0.00081 (15) |
N10 | 0.0231 (8) | 0.0156 (7) | 0.0176 (7) | 0.0024 (6) | 0.0022 (6) | 0.0017 (6) |
C10 | 0.0274 (10) | 0.0125 (8) | 0.0219 (9) | 0.0016 (7) | 0.0031 (7) | −0.0004 (7) |
C11 | 0.0280 (10) | 0.0136 (8) | 0.0242 (9) | 0.0014 (7) | 0.0049 (8) | 0.0022 (7) |
C12 | 0.0247 (10) | 0.0173 (9) | 0.0217 (9) | 0.0010 (7) | 0.0045 (7) | 0.0019 (7) |
C13 | 0.0310 (11) | 0.0151 (9) | 0.0233 (10) | 0.0029 (7) | 0.0074 (8) | −0.0004 (7) |
C14 | 0.0282 (10) | 0.0147 (8) | 0.0240 (10) | 0.0018 (7) | 0.0040 (8) | 0.0010 (7) |
C15 | 0.0436 (14) | 0.0232 (10) | 0.0271 (11) | 0.0014 (9) | 0.0141 (10) | 0.0042 (9) |
C16 | 0.0331 (11) | 0.0180 (9) | 0.0158 (8) | 0.0038 (8) | 0.0028 (7) | 0.0039 (7) |
C17 | 0.0352 (12) | 0.0214 (10) | 0.0225 (10) | −0.0029 (8) | 0.0075 (8) | 0.0030 (8) |
C18 | 0.0269 (11) | 0.0264 (11) | 0.0344 (12) | −0.0018 (9) | 0.0057 (9) | 0.0001 (9) |
C19 | 0.0293 (13) | 0.0463 (16) | 0.0495 (17) | −0.0106 (11) | 0.0097 (11) | −0.0061 (13) |
N20 | 0.0152 (7) | 0.0234 (8) | 0.0182 (7) | 0.0016 (6) | 0.0005 (6) | 0.0020 (6) |
C20 | 0.0135 (8) | 0.0274 (10) | 0.0257 (10) | 0.0016 (7) | −0.0007 (7) | 0.0040 (8) |
C21 | 0.0145 (9) | 0.0277 (10) | 0.0294 (10) | 0.0016 (7) | 0.0035 (7) | 0.0058 (8) |
C22 | 0.0205 (9) | 0.0199 (9) | 0.0228 (9) | 0.0017 (7) | 0.0045 (7) | 0.0034 (7) |
C23 | 0.0177 (9) | 0.0297 (11) | 0.0232 (10) | 0.0030 (8) | 0.0009 (7) | 0.0080 (8) |
C24 | 0.0159 (9) | 0.0314 (11) | 0.0235 (10) | 0.0035 (8) | −0.0005 (7) | 0.0068 (8) |
C25 | 0.0277 (11) | 0.0294 (11) | 0.0271 (11) | 0.0037 (9) | 0.0084 (8) | 0.0069 (9) |
C26 | 0.0203 (9) | 0.0306 (11) | 0.0156 (8) | 0.0037 (8) | 0.0012 (7) | 0.0032 (7) |
C27 | 0.0241 (10) | 0.0306 (11) | 0.0189 (9) | −0.0013 (8) | 0.0010 (7) | 0.0055 (8) |
C28 | 0.0301 (12) | 0.0399 (14) | 0.0274 (11) | 0.0026 (10) | 0.0064 (9) | 0.0145 (10) |
C29 | 0.0360 (14) | 0.0386 (14) | 0.0435 (15) | −0.0057 (11) | 0.0020 (11) | 0.0195 (12) |
Geometric parameters (Å, º) top
Pd1—Cl11 | 2.2979 (8) | C18—H18B | 0.9900 |
Pd1—Cl11i | 2.2979 (8) | C19—H19A | 0.9800 |
Pd1—Cl12 | 2.3158 (9) | C19—H19B | 0.9800 |
Pd1—Cl12i | 2.3158 (9) | C19—H19C | 0.9800 |
Pd2—Cl21 | 2.3136 (8) | N20—C20 | 1.355 (3) |
Pd2—Cl21ii | 2.3136 (8) | N20—C24 | 1.345 (3) |
Pd2—Cl22 | 2.3095 (9) | N20—C26 | 1.484 (3) |
Pd2—Cl22ii | 2.3095 (9) | C20—C21 | 1.375 (3) |
N10—C10 | 1.358 (3) | C20—H20 | 0.9500 |
N10—C14 | 1.355 (3) | C21—C22 | 1.394 (3) |
N10—C16 | 1.486 (3) | C21—H21 | 0.9500 |
C10—C11 | 1.374 (3) | C22—C23 | 1.391 (3) |
C10—H10 | 0.9500 | C22—C25 | 1.502 (3) |
C11—C12 | 1.402 (3) | C23—C24 | 1.377 (3) |
C11—H11 | 0.9500 | C23—H23 | 0.9500 |
C12—C13 | 1.395 (3) | C24—H24 | 0.9500 |
C12—C15 | 1.498 (3) | C25—H25A | 0.9800 |
C13—C14 | 1.381 (3) | C25—H25B | 0.9800 |
C13—H13 | 0.9500 | C25—H25C | 0.9800 |
C14—H14 | 0.9500 | C26—C27 | 1.507 (3) |
C15—H15A | 0.9800 | C26—H26A | 0.9900 |
C15—H15B | 0.9800 | C26—H26B | 0.9900 |
C15—H15C | 0.9800 | C27—C28 | 1.523 (3) |
C16—C17 | 1.521 (3) | C27—H27A | 0.9900 |
C16—H16A | 0.9900 | C27—H27B | 0.9900 |
C16—H16B | 0.9900 | C28—C29 | 1.526 (4) |
C17—C18 | 1.520 (3) | C28—H28A | 0.9900 |
C17—H17A | 0.9900 | C28—H28B | 0.9900 |
C17—H17B | 0.9900 | C29—H29A | 0.9800 |
C18—C19 | 1.536 (4) | C29—H29B | 0.9800 |
C18—H18A | 0.9900 | C29—H29C | 0.9800 |
| | | |
Cl11—Pd1—Cl11i | 180.0 | C18—C19—H19A | 109.5 |
Cl11—Pd1—Cl12i | 90.29 (3) | C18—C19—H19B | 109.5 |
Cl11i—Pd1—Cl12i | 89.71 (3) | H19A—C19—H19B | 109.5 |
Cl11—Pd1—Cl12 | 89.71 (3) | C18—C19—H19C | 109.5 |
Cl11i—Pd1—Cl12 | 90.29 (3) | H19A—C19—H19C | 109.5 |
Cl12i—Pd1—Cl12 | 180.0 | H19B—C19—H19C | 109.5 |
Cl22ii—Pd2—Cl22 | 180.0 | C20—N20—C24 | 120.6 (2) |
Cl22ii—Pd2—Cl21 | 89.47 (3) | C20—N20—C26 | 119.1 (2) |
Cl22—Pd2—Cl21 | 90.53 (3) | C24—N20—C26 | 119.9 (2) |
Cl22ii—Pd2—Cl21ii | 90.53 (3) | N20—C20—C21 | 120.1 (2) |
Cl22—Pd2—Cl21ii | 89.47 (3) | N20—C20—H20 | 119.9 |
Cl21—Pd2—Cl21ii | 180.0 | C21—C20—H20 | 119.9 |
C10—N10—C14 | 120.2 (2) | C20—C21—C22 | 120.7 (2) |
C10—N10—C16 | 120.5 (2) | C20—C21—H21 | 119.7 |
C14—N10—C16 | 119.3 (2) | C22—C21—H21 | 119.7 |
N10—C10—C11 | 120.8 (2) | C23—C22—C21 | 117.6 (2) |
N10—C10—H10 | 119.6 | C23—C22—C25 | 121.1 (2) |
C11—C10—H10 | 119.6 | C21—C22—C25 | 121.2 (2) |
C10—C11—C12 | 120.4 (2) | C24—C23—C22 | 120.1 (2) |
C10—C11—H11 | 119.8 | C24—C23—H23 | 119.9 |
C12—C11—H11 | 119.8 | C22—C23—H23 | 119.9 |
C13—C12—C11 | 117.6 (2) | N20—C24—C23 | 120.9 (2) |
C13—C12—C15 | 121.6 (2) | N20—C24—H24 | 119.6 |
C11—C12—C15 | 120.8 (2) | C23—C24—H24 | 119.6 |
C14—C13—C12 | 120.2 (2) | C22—C25—H25A | 109.5 |
C14—C13—H13 | 119.9 | C22—C25—H25B | 109.5 |
C12—C13—H13 | 119.9 | H25A—C25—H25B | 109.5 |
N10—C14—C13 | 120.8 (2) | C22—C25—H25C | 109.5 |
N10—C14—H14 | 119.6 | H25A—C25—H25C | 109.5 |
C13—C14—H14 | 119.6 | H25B—C25—H25C | 109.5 |
C12—C15—H15A | 109.5 | N20—C26—C27 | 109.6 (2) |
C12—C15—H15B | 109.5 | N20—C26—H26A | 109.7 |
H15A—C15—H15B | 109.5 | C27—C26—H26A | 109.7 |
C12—C15—H15C | 109.5 | N20—C26—H26B | 109.7 |
H15A—C15—H15C | 109.5 | C27—C26—H26B | 109.7 |
H15B—C15—H15C | 109.5 | H26A—C26—H26B | 108.2 |
N10—C16—C17 | 112.4 (2) | C26—C27—C28 | 113.2 (2) |
N10—C16—H16A | 109.1 | C26—C27—H27A | 108.9 |
C17—C16—H16A | 109.1 | C28—C27—H27A | 108.9 |
N10—C16—H16B | 109.1 | C26—C27—H27B | 108.9 |
C17—C16—H16B | 109.1 | C28—C27—H27B | 108.9 |
H16A—C16—H16B | 107.9 | H27A—C27—H27B | 107.7 |
C18—C17—C16 | 114.8 (2) | C27—C28—C29 | 110.8 (2) |
C18—C17—H17A | 108.6 | C27—C28—H28A | 109.5 |
C16—C17—H17A | 108.6 | C29—C28—H28A | 109.5 |
C18—C17—H17B | 108.6 | C27—C28—H28B | 109.5 |
C16—C17—H17B | 108.6 | C29—C28—H28B | 109.5 |
H17A—C17—H17B | 107.5 | H28A—C28—H28B | 108.1 |
C17—C18—C19 | 112.9 (2) | C28—C29—H29A | 109.5 |
C17—C18—H18A | 109.0 | C28—C29—H29B | 109.5 |
C19—C18—H18A | 109.0 | H29A—C29—H29B | 109.5 |
C17—C18—H18B | 109.0 | C28—C29—H29C | 109.5 |
C19—C18—H18B | 109.0 | H29A—C29—H29C | 109.5 |
H18A—C18—H18B | 107.8 | H29B—C29—H29C | 109.5 |
| | | |
C14—N10—C10—C11 | 0.0 (3) | C24—N20—C20—C21 | 0.1 (3) |
C16—N10—C10—C11 | 177.2 (2) | C26—N20—C20—C21 | 173.0 (2) |
N10—C10—C11—C12 | 0.4 (3) | N20—C20—C21—C22 | −0.2 (3) |
C10—C11—C12—C13 | −0.1 (3) | C20—C21—C22—C23 | 0.5 (3) |
C10—C11—C12—C15 | −180.0 (2) | C20—C21—C22—C25 | −178.6 (2) |
C11—C12—C13—C14 | −0.5 (3) | C21—C22—C23—C24 | −0.8 (3) |
C15—C12—C13—C14 | 179.3 (2) | C25—C22—C23—C24 | 178.4 (2) |
C10—N10—C14—C13 | −0.6 (3) | C20—N20—C24—C23 | −0.3 (3) |
C16—N10—C14—C13 | −177.9 (2) | C26—N20—C24—C23 | −173.2 (2) |
C12—C13—C14—N10 | 0.9 (3) | C22—C23—C24—N20 | 0.7 (3) |
C14—N10—C16—C17 | 77.4 (2) | C24—N20—C26—C27 | 89.8 (2) |
C10—N10—C16—C17 | −99.8 (2) | C20—N20—C26—C27 | −83.2 (2) |
N10—C16—C17—C18 | 62.5 (2) | N20—C26—C27—C28 | −179.9 (2) |
C16—C17—C18—C19 | 174.2 (2) | C26—C27—C28—C29 | −172.8 (2) |
Symmetry codes: (i) −x+1, −y+1, −z; (ii) −x+1, −y+1, −z+1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C10—H10···CL11iii | 0.95 | 2.81 | 3.472 (3) | 127 |
C10—H10···CL12iv | 0.95 | 2.74 | 3.642 (3) | 159 |
C11—H11···CL11iii | 0.95 | 2.89 | 3.507 (3) | 124 |
C11—H11···CL21iii | 0.95 | 2.81 | 3.687 (3) | 154 |
C13—H13···CL21 | 0.95 | 2.86 | 3.478 (3) | 124 |
C13—H13···CL22 | 0.95 | 2.72 | 3.632 (3) | 162 |
C14—H14···CL11 | 0.95 | 2.69 | 3.586 (3) | 158 |
C14—H14···CL21 | 0.95 | 2.94 | 3.522 (3) | 121 |
C16—H16A···CL12 | 0.99 | 2.75 | 3.699 (3) | 160 |
C16—H16B···CL12iv | 0.99 | 2.86 | 3.768 (3) | 153 |
C20—H20···CL21 | 0.95 | 2.72 | 3.461 (3) | 135 |
C20—H20···CL22 | 0.95 | 2.86 | 3.727 (3) | 153 |
C21—H21···CL11 | 0.95 | 2.67 | 3.590 (3) | 164 |
C23—H23···CL11v | 0.95 | 2.89 | 3.399 (3) | 115 |
C23—H23···CL12vi | 0.95 | 2.85 | 3.751 (3) | 158 |
C24—H24···CL11v | 0.95 | 2.85 | 3.384 (3) | 117 |
C24—H24···CL21v | 0.95 | 2.82 | 3.697 (3) | 155 |
C25—H25A···CL12 | 0.98 | 2.80 | 3.746 (3) | 165 |
C26—H26A···CL21v | 0.99 | 2.84 | 3.656 (3) | 141 |
C26—H26A···CL22vii | 0.99 | 2.85 | 3.736 (3) | 149 |
C26—H26B···CL22 | 0.99 | 2.81 | 3.592 (3) | 137 |
Symmetry codes: (iii) x, y−1, z; (iv) −x+1, −y, −z; (v) x−1, y, z; (vi) −x, −y+1, −z; (vii) −x, −y+1, −z+1. |