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The title compound, [Cu2(C15H31N6O2)F2(CH3CN)2](PF6)2, has an N2Cu(μ-F)2CuN2 core as the central element. The Cu2F2 ring is planar due to crystallographic inversion symmetry. The N atom from the enclosed acetonitrile solvent mol­ecule serves as the fifth coordinating atom to the Cu centre. The crystal packing exhibits inter­molecular hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806030972/bt2161sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806030972/bt2161Isup2.hkl
Contains datablock I

CCDC reference: 620689

Key indicators

  • Single-crystal X-ray study
  • T = 120 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.050
  • wR factor = 0.104
  • Data-to-parameter ratio = 19.5

checkCIF/PLATON results

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Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT231_ALERT_4_C Hirshfeld Test (Solvent) P1 - F13 .. 5.26 su PLAT231_ALERT_4_C Hirshfeld Test (Solvent) P1 - F16 .. 7.72 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cu1 - N100 .. 7.25 su PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for P1 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.46
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 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 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 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 2002); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Di-µ-fluoro- bis[(acetonitrile){N,N'-bis[(dimethylamino)(morpholino)methylene]propane- 1,3-diamine}copper(II)] bis(hexafluorophosphate) top
Crystal data top
[Cu2(C15H31N6O2)F2(C2H3N)2](PF6)2F(000) = 1292
Mr = 1246.13Dx = 1.572 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 2780 reflections
a = 11.1872 (11) Åθ = 2.4–27.9°
b = 19.1481 (19) ŵ = 0.97 mm1
c = 12.2954 (12) ÅT = 120 K
β = 91.595 (2)°Block, blue
V = 2632.8 (4) Å30.40 × 0.32 × 0.23 mm
Z = 2
Data collection top
Bruker SMART CCD area-detector
diffractometer
6619 independent reflections
Radiation source: sealed tube3786 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.060
φ and ω scansθmax = 28.5°, θmin = 2.0°
Absorption correction: multi-scan
(SADABS; Bruker, 2002)
h = 1412
Tmin = 0.697, Tmax = 0.807k = 2525
22595 measured reflectionsl = 1616
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)] = 0.050Hydrogen site location: difference Fourier map
wR(F2) = 0.104H-atom parameters constrained
S = 0.86 w = 1/[σ2(Fo2) + (0.0369P)2]
where P = (Fo2 + 2Fc2)/3
6619 reflections(Δ/σ)max = 0.001
339 parametersΔρmax = 0.86 e Å3
6 restraintsΔρmin = 0.56 e Å3
Special details top

Experimental. IR (KBr, ν, cm-1): 2924 (m, CHaliph), 2856 (m, CHaliph), 1616 (s, C N), 1558 (versus, CN), 1468 (s), 1398 (s), 1267 (m), 1111 (s), 1066 (m), 887 (w), 840 (versus, P–F), 759 (w), 617 (w), 555 (w).

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
xyzUiso*/Ueq
Cu10.07651 (3)0.064358 (19)0.52120 (3)0.02090 (11)
O10.3659 (2)0.17198 (14)0.4740 (2)0.0526 (7)
O20.0074 (2)0.07740 (13)0.09684 (17)0.0399 (6)
F10.06557 (14)0.01691 (9)0.57193 (12)0.0249 (4)
N10.0547 (2)0.14403 (13)0.61773 (19)0.0237 (6)
N20.0588 (2)0.17947 (15)0.7662 (2)0.0365 (7)
N30.1504 (2)0.16041 (13)0.5983 (2)0.0262 (6)
N40.2183 (2)0.10090 (13)0.44893 (18)0.0228 (6)
N50.1646 (2)0.08335 (13)0.26722 (19)0.0241 (6)
N60.3618 (2)0.07339 (15)0.3204 (2)0.0316 (7)
C10.0480 (3)0.15993 (16)0.6596 (2)0.0257 (7)
C20.0113 (3)0.1476 (2)0.8508 (3)0.0519 (11)
H2A0.05290.10690.82190.078*
H2B0.04080.13280.90930.078*
H2C0.07020.18120.87960.078*
C30.1410 (3)0.2333 (2)0.7998 (3)0.0598 (12)
H3A0.18210.25320.73560.090*
H3B0.09650.27010.83870.090*
H3C0.20010.21300.84800.090*
C40.2610 (3)0.12933 (17)0.6363 (3)0.0313 (8)
H4A0.26140.13050.71680.038*
H4B0.26620.08000.61260.038*
C50.3663 (3)0.1692 (2)0.5906 (3)0.0474 (10)
H5A0.44100.14670.61380.057*
H5B0.36460.21740.62000.057*
C60.2579 (3)0.2035 (2)0.4397 (3)0.0502 (11)
H6A0.25430.25230.46650.060*
H6B0.25830.20490.35920.060*
C70.1479 (3)0.16462 (18)0.4808 (2)0.0311 (8)
H7A0.14680.11710.44920.037*
H7B0.07490.18950.45860.037*
C80.1629 (3)0.17713 (17)0.6656 (2)0.0310 (8)
H8A0.20230.14440.71760.037*
H8B0.13990.21940.70640.037*
C90.2502 (3)0.19719 (16)0.5790 (2)0.0279 (7)
H9A0.31470.22580.61300.034*
H9B0.20790.22660.52400.034*
C100.3063 (3)0.13576 (16)0.5215 (2)0.0251 (7)
H10D0.37430.15240.47860.030*
H10E0.33750.10200.57620.030*
C110.2485 (3)0.08545 (16)0.3499 (2)0.0245 (7)
C120.4464 (3)0.03751 (18)0.3911 (3)0.0382 (9)
H12A0.40600.02130.45610.057*
H12B0.51120.06950.41250.057*
H12C0.47940.00260.35260.057*
C130.4066 (3)0.0905 (2)0.2129 (3)0.0432 (10)
H13A0.34600.11730.17180.065*
H13B0.42420.04730.17380.065*
H13C0.47980.11840.22130.065*
C140.1580 (3)0.02305 (17)0.1933 (2)0.0306 (8)
H14A0.10660.01360.22410.037*
H14B0.23880.00320.18420.037*
C150.1073 (3)0.04621 (19)0.0857 (3)0.0384 (9)
H15A0.16210.08040.05300.046*
H15B0.10030.00550.03630.046*
C160.0022 (3)0.13704 (18)0.1658 (3)0.0371 (9)
H16A0.07760.15880.17200.045*
H16B0.05580.17170.13270.045*
C170.0503 (3)0.11827 (17)0.2776 (2)0.0256 (7)
H17A0.06060.16100.32220.031*
H17B0.00660.08710.31420.031*
P10.00041 (11)0.36089 (6)0.40001 (9)0.0511 (3)
F110.0067 (3)0.40571 (12)0.29105 (18)0.0802 (8)
F120.0050 (2)0.31587 (13)0.50804 (18)0.0778 (8)
F130.0042 (2)0.42983 (12)0.46901 (18)0.0694 (7)
F140.1384 (2)0.35782 (17)0.3992 (2)0.1133 (12)
F150.0123 (4)0.29305 (15)0.3330 (2)0.1612 (18)
F160.1408 (3)0.3682 (2)0.4036 (3)0.1353 (14)
N1000.2038 (3)0.00144 (16)0.6684 (2)0.0422 (8)
C1010.2409 (3)0.01669 (18)0.7488 (3)0.0336 (8)
C1020.2876 (3)0.0403 (2)0.8539 (3)0.0497 (11)
H10A0.22160.04540.90410.074*
H10B0.34510.00600.88310.074*
H10C0.32750.08540.84530.074*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0208 (2)0.0210 (2)0.02099 (18)0.00224 (18)0.00261 (13)0.00100 (17)
O10.0305 (15)0.0601 (19)0.0671 (19)0.0001 (13)0.0031 (13)0.0192 (15)
O20.0393 (15)0.0483 (17)0.0319 (13)0.0006 (12)0.0035 (11)0.0039 (11)
F10.0248 (10)0.0244 (10)0.0259 (9)0.0032 (8)0.0077 (7)0.0028 (7)
N10.0251 (15)0.0231 (15)0.0231 (13)0.0030 (12)0.0043 (11)0.0033 (11)
N20.0430 (18)0.0400 (19)0.0271 (15)0.0092 (15)0.0103 (13)0.0109 (13)
N30.0251 (15)0.0256 (16)0.0283 (15)0.0005 (12)0.0056 (11)0.0013 (11)
N40.0215 (14)0.0248 (15)0.0220 (13)0.0035 (11)0.0015 (10)0.0008 (11)
N50.0226 (14)0.0276 (16)0.0222 (13)0.0028 (11)0.0030 (11)0.0020 (11)
N60.0220 (15)0.0413 (18)0.0318 (15)0.0001 (13)0.0055 (11)0.0010 (13)
C10.032 (2)0.0180 (17)0.0277 (17)0.0068 (14)0.0040 (14)0.0029 (13)
C20.067 (3)0.068 (3)0.0214 (18)0.035 (2)0.0037 (17)0.0000 (18)
C30.062 (3)0.055 (3)0.064 (3)0.015 (2)0.034 (2)0.033 (2)
C40.0280 (19)0.029 (2)0.0368 (19)0.0005 (16)0.0055 (14)0.0001 (15)
C50.034 (2)0.050 (3)0.059 (3)0.0008 (19)0.0115 (18)0.002 (2)
C60.039 (2)0.053 (3)0.058 (3)0.003 (2)0.0015 (19)0.022 (2)
C70.0262 (19)0.035 (2)0.0326 (19)0.0018 (15)0.0009 (14)0.0054 (15)
C80.034 (2)0.0287 (19)0.0301 (18)0.0052 (16)0.0013 (14)0.0058 (14)
C90.0240 (18)0.0292 (19)0.0305 (18)0.0085 (15)0.0013 (13)0.0041 (14)
C100.0213 (17)0.0281 (19)0.0258 (16)0.0061 (14)0.0014 (13)0.0017 (14)
C110.0219 (17)0.0219 (18)0.0299 (17)0.0042 (13)0.0061 (13)0.0014 (13)
C120.029 (2)0.038 (2)0.048 (2)0.0027 (17)0.0011 (16)0.0057 (17)
C130.036 (2)0.056 (3)0.039 (2)0.0082 (18)0.0180 (16)0.0054 (18)
C140.0292 (19)0.031 (2)0.0313 (18)0.0029 (15)0.0028 (14)0.0072 (15)
C150.040 (2)0.046 (2)0.0289 (18)0.0039 (18)0.0012 (15)0.0073 (16)
C160.039 (2)0.038 (2)0.034 (2)0.0008 (17)0.0042 (16)0.0045 (16)
C170.0251 (18)0.0270 (19)0.0248 (16)0.0014 (14)0.0020 (13)0.0012 (13)
P10.0738 (9)0.0364 (6)0.0439 (6)0.0087 (6)0.0144 (5)0.0047 (5)
F110.145 (3)0.0485 (16)0.0481 (15)0.0113 (16)0.0233 (15)0.0131 (12)
F120.122 (2)0.0619 (17)0.0500 (15)0.0261 (16)0.0143 (13)0.0170 (12)
F130.098 (2)0.0539 (16)0.0565 (15)0.0010 (14)0.0000 (13)0.0039 (12)
F140.073 (2)0.148 (3)0.118 (3)0.048 (2)0.0281 (17)0.050 (2)
F150.384 (6)0.0435 (19)0.059 (2)0.039 (3)0.047 (3)0.0022 (15)
F160.090 (2)0.177 (4)0.142 (3)0.047 (2)0.056 (2)0.040 (3)
N1000.043 (2)0.042 (2)0.0409 (19)0.0069 (15)0.0027 (15)0.0057 (15)
C1010.0236 (19)0.033 (2)0.044 (2)0.0058 (16)0.0029 (15)0.0009 (17)
C1020.031 (2)0.077 (3)0.041 (2)0.003 (2)0.0002 (16)0.009 (2)
Geometric parameters (Å, º) top
Cu1—F1i1.9339 (16)C6—H6B0.9900
Cu1—F11.9484 (16)C7—H7A0.9900
Cu1—N11.952 (2)C7—H7B0.9900
Cu1—N41.968 (2)C8—C91.514 (4)
Cu1—Cu1i3.0376 (8)C8—H8A0.9900
O1—C61.425 (4)C8—H8B0.9900
O1—C51.434 (4)C9—C101.517 (4)
O2—C161.425 (4)C9—H9A0.9900
O2—C151.426 (4)C9—H9B0.9900
F1—Cu1i1.9339 (16)C10—H10D0.9900
N1—C11.308 (4)C10—H10E0.9900
N1—C81.475 (4)C12—H12A0.9800
N2—C11.372 (4)C12—H12B0.9800
N2—C21.423 (4)C12—H12C0.9800
N2—C31.449 (4)C13—H13A0.9800
N3—C11.354 (4)C13—H13B0.9800
N3—C71.449 (4)C13—H13C0.9800
N3—C41.461 (4)C14—C151.491 (4)
N4—C111.307 (3)C14—H14A0.9900
N4—C101.470 (4)C14—H14B0.9900
N5—C111.365 (4)C15—H15A0.9900
N5—C171.452 (4)C15—H15B0.9900
N5—C141.470 (4)C16—C171.506 (4)
N6—C111.348 (4)C16—H16A0.9900
N6—C121.441 (4)C16—H16B0.9900
N6—C131.464 (4)C17—H17A0.9900
C2—H2A0.9800C17—H17B0.9900
C2—H2B0.9800P1—F141.545 (3)
C2—H2C0.9800P1—F151.547 (3)
C3—H3A0.9800P1—F131.570 (2)
C3—H3B0.9800P1—F121.583 (2)
C3—H3C0.9800P1—F161.586 (3)
C4—C51.500 (5)P1—F111.591 (2)
C4—H4A0.9900N100—C1011.117 (4)
C4—H4B0.9900C101—C1021.451 (5)
C5—H5A0.9900C102—H10A0.9800
C5—H5B0.9900C102—H10B0.9800
C6—C71.514 (4)C102—H10C0.9800
C6—H6A0.9900
F1i—Cu1—F177.03 (7)H8A—C8—H8B108.0
F1i—Cu1—N1169.05 (9)C8—C9—C10114.5 (3)
F1—Cu1—N193.03 (8)C8—C9—H9A108.6
F1i—Cu1—N493.28 (8)C10—C9—H9A108.6
F1—Cu1—N4170.14 (8)C8—C9—H9B108.6
N1—Cu1—N496.47 (10)C10—C9—H9B108.6
F1i—Cu1—Cu1i38.69 (5)H9A—C9—H9B107.6
F1—Cu1—Cu1i38.35 (5)N4—C10—C9110.8 (2)
N1—Cu1—Cu1i131.22 (7)N4—C10—H10D109.5
N4—Cu1—Cu1i131.94 (7)C9—C10—H10D109.5
C6—O1—C5109.8 (3)N4—C10—H10E109.5
C16—O2—C15109.8 (2)C9—C10—H10E109.5
Cu1i—F1—Cu1102.97 (7)H10D—C10—H10E108.1
C1—N1—C8117.6 (3)N4—C11—N6124.0 (3)
C1—N1—Cu1123.2 (2)N4—C11—N5120.7 (3)
C8—N1—Cu1117.61 (19)N6—C11—N5115.3 (3)
C1—N2—C2121.4 (3)N6—C12—H12A109.5
C1—N2—C3122.7 (3)N6—C12—H12B109.5
C2—N2—C3115.9 (3)H12A—C12—H12B109.5
C1—N3—C7121.1 (2)N6—C12—H12C109.5
C1—N3—C4122.0 (2)H12A—C12—H12C109.5
C7—N3—C4112.4 (2)H12B—C12—H12C109.5
C11—N4—C10118.8 (2)N6—C13—H13A109.5
C11—N4—Cu1125.0 (2)N6—C13—H13B109.5
C10—N4—Cu1114.94 (18)H13A—C13—H13B109.5
C11—N5—C17120.7 (2)N6—C13—H13C109.5
C11—N5—C14120.4 (3)H13A—C13—H13C109.5
C17—N5—C14112.8 (2)H13B—C13—H13C109.5
C11—N6—C12121.7 (3)N5—C14—C15109.0 (3)
C11—N6—C13123.6 (3)N5—C14—H14A109.9
C12—N6—C13114.5 (3)C15—C14—H14A109.9
N1—C1—N3121.4 (3)N5—C14—H14B109.9
N1—C1—N2122.8 (3)C15—C14—H14B109.9
N3—C1—N2115.7 (3)H14A—C14—H14B108.3
N2—C2—H2A109.5O2—C15—C14111.1 (3)
N2—C2—H2B109.5O2—C15—H15A109.4
H2A—C2—H2B109.5C14—C15—H15A109.4
N2—C2—H2C109.5O2—C15—H15B109.4
H2A—C2—H2C109.5C14—C15—H15B109.4
H2B—C2—H2C109.5H15A—C15—H15B108.0
N2—C3—H3A109.5O2—C16—C17111.8 (3)
N2—C3—H3B109.5O2—C16—H16A109.3
H3A—C3—H3B109.5C17—C16—H16A109.3
N2—C3—H3C109.5O2—C16—H16B109.3
H3A—C3—H3C109.5C17—C16—H16B109.3
H3B—C3—H3C109.5H16A—C16—H16B107.9
N3—C4—C5109.6 (3)N5—C17—C16108.8 (2)
N3—C4—H4A109.7N5—C17—H17A109.9
C5—C4—H4A109.7C16—C17—H17A109.9
N3—C4—H4B109.7N5—C17—H17B109.9
C5—C4—H4B109.7C16—C17—H17B109.9
H4A—C4—H4B108.2H17A—C17—H17B108.3
O1—C5—C4111.6 (3)F14—P1—F1594.1 (2)
O1—C5—H5A109.3F14—P1—F1389.60 (17)
C4—C5—H5A109.3F15—P1—F13176.3 (2)
O1—C5—H5B109.3F14—P1—F1289.96 (15)
C4—C5—H5B109.3F15—P1—F1289.28 (15)
H5A—C5—H5B108.0F13—P1—F1290.31 (13)
O1—C6—C7112.4 (3)F14—P1—F16176.9 (2)
O1—C6—H6A109.1F15—P1—F1689.0 (2)
C7—C6—H6A109.1F13—P1—F1687.33 (18)
O1—C6—H6B109.1F12—P1—F1690.56 (17)
C7—C6—H6B109.1F14—P1—F1189.68 (16)
H6A—C6—H6B107.9F15—P1—F1190.42 (15)
N3—C7—C6108.8 (3)F13—P1—F1190.02 (13)
N3—C7—H7A109.9F12—P1—F11179.52 (18)
C6—C7—H7A109.9F16—P1—F1189.81 (16)
N3—C7—H7B109.9N100—C101—C102179.3 (4)
C6—C7—H7B109.9C101—C102—H10A109.5
H7A—C7—H7B108.3C101—C102—H10B109.5
N1—C8—C9111.5 (2)H10A—C102—H10B109.5
N1—C8—H8A109.3C101—C102—H10C109.5
C9—C8—H8A109.3H10A—C102—H10C109.5
N1—C8—H8B109.3H10B—C102—H10C109.5
C9—C8—H8B109.3
F1i—Cu1—N1—C13.5 (6)C5—O1—C6—C758.5 (4)
F1—Cu1—N1—C121.1 (2)C1—N3—C7—C6148.4 (3)
N4—Cu1—N1—C1156.2 (2)C4—N3—C7—C654.9 (4)
Cu1i—Cu1—N1—C117.3 (3)O1—C6—C7—N356.6 (4)
F1i—Cu1—N1—C8168.6 (4)C1—N1—C8—C9140.8 (3)
F1—Cu1—N1—C8144.0 (2)Cu1—N1—C8—C953.3 (3)
N4—Cu1—N1—C838.6 (2)N1—C8—C9—C1067.4 (3)
Cu1i—Cu1—N1—C8147.87 (17)C11—N4—C10—C9133.1 (3)
F1i—Cu1—N4—C1123.0 (3)Cu1—N4—C10—C959.2 (3)
N1—Cu1—N4—C11152.0 (3)C8—C9—C10—N471.5 (3)
Cu1i—Cu1—N4—C1121.4 (3)C10—N4—C11—N627.0 (4)
F1i—Cu1—N4—C10143.8 (2)Cu1—N4—C11—N6139.4 (3)
N1—Cu1—N4—C1041.2 (2)C10—N4—C11—N5150.3 (3)
Cu1i—Cu1—N4—C10145.40 (17)Cu1—N4—C11—N543.3 (4)
C8—N1—C1—N3149.3 (3)C12—N6—C11—N436.7 (5)
Cu1—N1—C1—N345.5 (4)C13—N6—C11—N4148.0 (3)
C8—N1—C1—N228.3 (4)C12—N6—C11—N5145.9 (3)
Cu1—N1—C1—N2136.9 (3)C13—N6—C11—N529.4 (4)
C7—N3—C1—N119.1 (4)C17—N5—C11—N419.3 (4)
C4—N3—C1—N1135.4 (3)C14—N5—C11—N4130.9 (3)
C7—N3—C1—N2158.7 (3)C17—N5—C11—N6158.2 (3)
C4—N3—C1—N246.8 (4)C14—N5—C11—N651.5 (4)
C2—N2—C1—N138.0 (5)C11—N5—C14—C15152.5 (3)
C3—N2—C1—N1141.9 (3)C17—N5—C14—C1555.1 (3)
C2—N2—C1—N3144.3 (3)C16—O2—C15—C1460.5 (3)
C3—N2—C1—N335.8 (4)N5—C14—C15—O257.3 (4)
C1—N3—C4—C5148.0 (3)C15—O2—C16—C1759.9 (3)
C7—N3—C4—C555.5 (4)C11—N5—C17—C16153.6 (3)
C6—O1—C5—C458.2 (4)C14—N5—C17—C1654.0 (3)
N3—C4—C5—O156.4 (4)O2—C16—C17—N556.2 (3)
Symmetry code: (i) x, y, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C3—H3C···F16ii0.982.473.396 (5)157
C15—H15B···O2iii0.992.493.428 (4)159
C102—H10A···O2i0.982.473.286 (4)140
Symmetry codes: (i) x, y, z+1; (ii) x1/2, y+1/2, z+1/2; (iii) x, y, z.
 

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