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The title compound, C11H16O2, crystallized in space group P21/n with two very similar mol­ecules in the asymmetric unit. In each mol­ecule, the two rings are fused in the endo configuration.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680300864X/na6225sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680300864X/na6225Isup2.hkl
Contains datablock I

CCDC reference: 214633

Key indicators

  • Single-crystal X-ray study
  • T = 150 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.040
  • wR factor = 0.100
  • Data-to-parameter ratio = 14.7

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry








Comment top

The title lactone, (I), was prepared as an intermediate in the synthesis of an isomer of the oxaspirobicyclic tetronic acid unit of the CCK-B receptor antagonist tetronothiodin.

The asymmetric unit of (I) contains two independent molecules (Fig. 1) which are essentially superimposible. The structure confirms the expected geometry at atoms C2, C4 and C9 in each molecule and are are no unusual bond lengths or angles.

Fig. 2 shows the unit-cell packing; the molecules are stacked parallel to the b axis. There are indications of a weak C—H···O hydrogen bonds between neighbouring molecules; these are collected in Table 1 (Desiraju, 1996; Taylor & Kennard, 1982).

Experimental top

The title lactone was formed by oxidation of the analogous lactol using pyridinium dichromate and recrystallized from dichloromethane solution by evaporation. The synthesis of the compound has been reported elsewhere (Page et al., 2003).

Refinement top

H atoms were inserted at calculated positions,the constrained C—H distances were 0.95, 0.98, 0.99 and 1.00 Å for H atoms bonded to sp2, methylene, methyl and tertiary C atoms, respectively. H atoms were refined with Uiso(H) = 1.2Ueq(C), except for the methyl groups where Uiso(H) = 1.5Ueq(C).

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 1998); software used to prepare material for publication: SHELXTL.

Figures top
[Figure 1] Fig. 1. Perspective view of the two independent molecules found in the asymmetric unit of (I), showing 50% probability displacement ellipsoids.
[Figure 2] Fig. 2. Projection of the unit cell along b. Atoms labelled A in Fig. 1 are shown in red, those labelled B are in blue.
(I) top
Crystal data top
C11H16O2F(000) = 784
Mr = 180.24Dx = 1.201 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 14.2924 (17) ÅCell parameters from 3712 reflections
b = 5.4060 (6) Åθ = 2.6–27.8°
c = 25.969 (3) ŵ = 0.08 mm1
β = 96.530 (2)°T = 150 K
V = 1993.4 (4) Å3Lath, colourless
Z = 80.48 × 0.11 × 0.03 mm
Data collection top
Bruker SMART CCD area-detector
diffractometer
3517 independent reflections
Radiation source: fine-focus sealed tube2526 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.031
ϕ and ω scansθmax = 25.0°, θmin = 1.6°
Absorption correction: multi-scan
(SHELXTL/SADABS; Sheldrick, 1997)
h = 1616
Tmin = 0.938, Tmax = 1.000k = 66
13507 measured reflectionsl = 3030
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)] = 0.040Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.100H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.0381P)2 + 0.7308P]
where P = (Fo2 + 2Fc2)/3
3517 reflections(Δ/σ)max < 0.001
239 parametersΔρmax = 0.21 e Å3
0 restraintsΔρmin = 0.17 e Å3
Crystal data top
C11H16O2V = 1993.4 (4) Å3
Mr = 180.24Z = 8
Monoclinic, P21/nMo Kα radiation
a = 14.2924 (17) ŵ = 0.08 mm1
b = 5.4060 (6) ÅT = 150 K
c = 25.969 (3) Å0.48 × 0.11 × 0.03 mm
β = 96.530 (2)°
Data collection top
Bruker SMART CCD area-detector
diffractometer
3517 independent reflections
Absorption correction: multi-scan
(SHELXTL/SADABS; Sheldrick, 1997)
2526 reflections with I > 2σ(I)
Tmin = 0.938, Tmax = 1.000Rint = 0.031
13507 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0400 restraints
wR(F2) = 0.100H-atom parameters constrained
S = 1.04Δρmax = 0.21 e Å3
3517 reflectionsΔρmin = 0.17 e Å3
239 parameters
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
xyzUiso*/Ueq
O1A0.26121 (8)0.2602 (2)0.21417 (4)0.0303 (3)
O2A0.40313 (9)0.1752 (3)0.25015 (5)0.0406 (3)
C1A0.33935 (12)0.1198 (3)0.21740 (6)0.0285 (4)
C2A0.34965 (11)0.0874 (3)0.17930 (6)0.0268 (4)
H2A0.37360.23550.19980.032*
C3A0.42592 (12)0.0111 (4)0.14539 (6)0.0311 (4)
H3A10.40280.12950.12300.037*
H3A20.48270.04440.16780.037*
C4A0.45203 (13)0.2255 (4)0.11148 (7)0.0363 (5)
H4A0.48230.35690.13490.044*
C5A0.52468 (14)0.1378 (5)0.07641 (8)0.0546 (6)
H5A10.54950.28070.05910.082*
H5A20.57640.05300.09740.082*
H5A30.49460.02360.05030.082*
C6A0.36383 (13)0.3350 (3)0.08202 (7)0.0317 (4)
C7A0.37482 (15)0.4811 (4)0.03342 (7)0.0483 (6)
H7A10.31450.55810.02070.072*
H7A20.42260.60990.04130.072*
H7A30.39450.37010.00680.072*
C8A0.28002 (13)0.3042 (3)0.09833 (7)0.0307 (4)
H8A0.22790.37740.07800.037*
C9A0.25927 (11)0.1652 (3)0.14574 (6)0.0258 (4)
H9A0.22400.27930.16690.031*
C10A0.19746 (12)0.0614 (3)0.13268 (6)0.0286 (4)
H10A0.23050.18000.11200.034*
H10B0.13810.01130.11190.034*
C11A0.17608 (12)0.1817 (3)0.18223 (7)0.0300 (4)
H11A0.13510.32720.17390.036*
H11B0.14130.06340.20210.036*
O1B0.78395 (8)0.3734 (2)0.22081 (5)0.0347 (3)
O2B0.65769 (9)0.3000 (3)0.16778 (6)0.0534 (4)
C1B0.73743 (13)0.2385 (4)0.18278 (7)0.0344 (4)
C2B0.78428 (12)0.0234 (3)0.15815 (6)0.0297 (4)
H2B0.74090.12160.15830.036*
C3B0.79203 (13)0.0876 (4)0.10130 (7)0.0344 (4)
H3B10.72950.13920.08440.041*
H3B20.83580.22860.09970.041*
C4B0.82724 (13)0.1306 (4)0.07172 (7)0.0344 (4)
H4B0.77760.26180.06970.041*
C5B0.83940 (16)0.0525 (4)0.01607 (7)0.0518 (6)
H5B10.89200.06420.01660.078*
H5B20.78150.02690.00030.078*
H5B30.85250.19880.00420.078*
C6B0.91601 (12)0.2381 (3)0.10077 (7)0.0299 (4)
C7B0.97949 (14)0.3923 (4)0.07076 (8)0.0428 (5)
H7B11.02930.46710.09490.064*
H7B21.00790.28670.04610.064*
H7B30.94240.52290.05190.064*
C8B0.93675 (12)0.2012 (3)0.15116 (7)0.0286 (4)
H8B0.99350.27330.16700.034*
C9B0.87945 (11)0.0567 (3)0.18600 (6)0.0261 (4)
H9B0.86670.16800.21520.031*
C10B0.93331 (12)0.1667 (3)0.20956 (6)0.0289 (4)
H10C0.99380.11230.22850.035*
H10D0.94730.28130.18170.035*
C11B0.87578 (12)0.2974 (4)0.24594 (7)0.0327 (4)
H11C0.86680.18630.27530.039*
H11D0.91050.44520.26010.039*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O1A0.0311 (7)0.0306 (7)0.0295 (7)0.0018 (6)0.0041 (5)0.0051 (5)
O2A0.0367 (7)0.0518 (9)0.0315 (7)0.0001 (7)0.0043 (6)0.0136 (6)
C1A0.0311 (10)0.0318 (10)0.0229 (9)0.0009 (8)0.0043 (8)0.0006 (8)
C2A0.0306 (9)0.0275 (9)0.0221 (9)0.0034 (8)0.0022 (7)0.0004 (8)
C3A0.0278 (9)0.0402 (11)0.0251 (9)0.0005 (8)0.0024 (7)0.0033 (8)
C4A0.0355 (10)0.0451 (12)0.0284 (10)0.0073 (9)0.0043 (8)0.0042 (9)
C5A0.0412 (12)0.0769 (17)0.0490 (13)0.0049 (12)0.0191 (10)0.0215 (12)
C6A0.0435 (11)0.0273 (10)0.0247 (9)0.0029 (8)0.0053 (8)0.0019 (8)
C7A0.0627 (14)0.0448 (13)0.0391 (11)0.0001 (11)0.0133 (10)0.0145 (10)
C8A0.0392 (11)0.0253 (9)0.0264 (9)0.0051 (8)0.0013 (8)0.0007 (8)
C9A0.0291 (9)0.0242 (9)0.0243 (9)0.0036 (7)0.0033 (7)0.0018 (7)
C10A0.0272 (9)0.0294 (10)0.0286 (9)0.0033 (8)0.0004 (7)0.0026 (8)
C11A0.0259 (9)0.0288 (10)0.0356 (10)0.0007 (8)0.0042 (8)0.0004 (8)
O1B0.0291 (7)0.0331 (7)0.0420 (7)0.0022 (6)0.0045 (6)0.0071 (6)
O2B0.0308 (8)0.0587 (10)0.0688 (10)0.0103 (7)0.0030 (7)0.0138 (8)
C1B0.0263 (10)0.0380 (11)0.0395 (11)0.0021 (9)0.0059 (8)0.0006 (9)
C2B0.0265 (9)0.0310 (10)0.0319 (10)0.0050 (8)0.0045 (8)0.0005 (8)
C3B0.0323 (10)0.0372 (11)0.0324 (10)0.0024 (9)0.0018 (8)0.0054 (9)
C4B0.0379 (11)0.0389 (11)0.0258 (9)0.0103 (9)0.0018 (8)0.0001 (8)
C5B0.0722 (15)0.0560 (14)0.0264 (10)0.0084 (12)0.0022 (10)0.0017 (10)
C6B0.0329 (10)0.0285 (10)0.0297 (10)0.0072 (8)0.0085 (8)0.0029 (8)
C7B0.0504 (12)0.0424 (12)0.0383 (11)0.0058 (10)0.0172 (9)0.0087 (10)
C8B0.0288 (9)0.0263 (9)0.0310 (10)0.0001 (8)0.0050 (8)0.0010 (8)
C9B0.0289 (9)0.0270 (9)0.0227 (9)0.0013 (8)0.0041 (7)0.0021 (7)
C10B0.0269 (9)0.0307 (10)0.0285 (9)0.0007 (8)0.0009 (7)0.0000 (8)
C11B0.0311 (10)0.0323 (10)0.0341 (10)0.0020 (8)0.0015 (8)0.0040 (8)
Geometric parameters (Å, º) top
O1A—C1A1.345 (2)O1B—C1B1.342 (2)
O1A—C11A1.456 (2)O1B—C11B1.457 (2)
O2A—C1A1.211 (2)O2B—C1B1.208 (2)
C1A—C2A1.513 (2)C1B—C2B1.519 (3)
C2A—C9A1.533 (2)C2B—C9B1.529 (2)
C2A—C3A1.534 (2)C2B—C3B1.533 (2)
C2A—H2A1.0000C2B—H2B1.0000
C3A—C4A1.528 (3)C3B—C4B1.524 (3)
C3A—H3A10.9900C3B—H3B10.9900
C3A—H3A20.9900C3B—H3B20.9900
C4A—C6A1.518 (3)C4B—C6B1.516 (3)
C4A—C5A1.532 (3)C4B—C5B1.534 (2)
C4A—H4A1.0000C4B—H4B1.0000
C5A—H5A10.9800C5B—H5B10.9800
C5A—H5A20.9800C5B—H5B20.9800
C5A—H5A30.9800C5B—H5B30.9800
C6A—C8A1.326 (2)C6B—C8B1.324 (2)
C6A—C7A1.512 (2)C6B—C7B1.512 (3)
C7A—H7A10.9800C7B—H7B10.9800
C7A—H7A20.9800C7B—H7B20.9800
C7A—H7A30.9800C7B—H7B30.9800
C8A—C9A1.500 (2)C8B—C9B1.506 (2)
C8A—H8A0.9500C8B—H8B0.9500
C9A—C10A1.526 (2)C9B—C10B1.523 (2)
C9A—H9A1.0000C9B—H9B1.0000
C10A—C11A1.504 (2)C10B—C11B1.498 (2)
C10A—H10A0.9900C10B—H10C0.9900
C10A—H10B0.9900C10B—H10D0.9900
C11A—H11A0.9900C11B—H11C0.9900
C11A—H11B0.9900C11B—H11D0.9900
C1A—O1A—C11A120.36 (13)C1B—O1B—C11B121.46 (14)
O2A—C1A—O1A117.23 (16)O2B—C1B—O1B117.25 (17)
O2A—C1A—C2A121.37 (16)O2B—C1B—C2B121.31 (17)
O1A—C1A—C2A121.26 (14)O1B—C1B—C2B121.40 (15)
C1A—C2A—C9A115.90 (14)C1B—C2B—C9B115.38 (14)
C1A—C2A—C3A107.74 (14)C1B—C2B—C3B108.44 (15)
C9A—C2A—C3A110.82 (13)C9B—C2B—C3B111.22 (13)
C1A—C2A—H2A107.3C1B—C2B—H2B107.1
C9A—C2A—H2A107.3C9B—C2B—H2B107.1
C3A—C2A—H2A107.3C3B—C2B—H2B107.1
C4A—C3A—C2A111.29 (15)C4B—C3B—C2B111.99 (15)
C4A—C3A—H3A1109.4C4B—C3B—H3B1109.2
C2A—C3A—H3A1109.4C2B—C3B—H3B1109.2
C4A—C3A—H3A2109.4C4B—C3B—H3B2109.2
C2A—C3A—H3A2109.4C2B—C3B—H3B2109.2
H3A1—C3A—H3A2108.0H3B1—C3B—H3B2107.9
C6A—C4A—C3A110.06 (14)C6B—C4B—C3B110.58 (14)
C6A—C4A—C5A113.64 (15)C6B—C4B—C5B113.34 (16)
C3A—C4A—C5A109.53 (17)C3B—C4B—C5B109.93 (16)
C6A—C4A—H4A107.8C6B—C4B—H4B107.6
C3A—C4A—H4A107.8C3B—C4B—H4B107.6
C5A—C4A—H4A107.8C5B—C4B—H4B107.6
C4A—C5A—H5A1109.5C4B—C5B—H5B1109.5
C4A—C5A—H5A2109.5C4B—C5B—H5B2109.5
H5A1—C5A—H5A2109.5H5B1—C5B—H5B2109.5
C4A—C5A—H5A3109.5C4B—C5B—H5B3109.5
H5A1—C5A—H5A3109.5H5B1—C5B—H5B3109.5
H5A2—C5A—H5A3109.5H5B2—C5B—H5B3109.5
C8A—C6A—C7A121.05 (17)C8B—C6B—C7B120.83 (17)
C8A—C6A—C4A121.24 (16)C8B—C6B—C4B121.00 (16)
C7A—C6A—C4A117.71 (16)C7B—C6B—C4B118.17 (15)
C6A—C7A—H7A1109.5C6B—C7B—H7B1109.5
C6A—C7A—H7A2109.5C6B—C7B—H7B2109.5
H7A1—C7A—H7A2109.5H7B1—C7B—H7B2109.5
C6A—C7A—H7A3109.5C6B—C7B—H7B3109.5
H7A1—C7A—H7A3109.5H7B1—C7B—H7B3109.5
H7A2—C7A—H7A3109.5H7B2—C7B—H7B3109.5
C6A—C8A—C9A126.53 (16)C6B—C8B—C9B126.58 (16)
C6A—C8A—H8A116.7C6B—C8B—H8B116.7
C9A—C8A—H8A116.7C9B—C8B—H8B116.7
C8A—C9A—C10A112.53 (14)C8B—C9B—C10B111.61 (13)
C8A—C9A—C2A111.81 (14)C8B—C9B—C2B112.21 (13)
C10A—C9A—C2A109.58 (14)C10B—C9B—C2B110.33 (14)
C8A—C9A—H9A107.6C8B—C9B—H9B107.5
C10A—C9A—H9A107.6C10B—C9B—H9B107.5
C2A—C9A—H9A107.6C2B—C9B—H9B107.5
C11A—C10A—C9A109.02 (14)C11B—C10B—C9B109.79 (14)
C11A—C10A—H10A109.9C11B—C10B—H10C109.7
C9A—C10A—H10A109.9C9B—C10B—H10C109.7
C11A—C10A—H10B109.9C11B—C10B—H10D109.7
C9A—C10A—H10B109.9C9B—C10B—H10D109.7
H10A—C10A—H10B108.3H10C—C10B—H10D108.2
O1A—C11A—C10A112.06 (13)O1B—C11B—C10B112.44 (14)
O1A—C11A—H11A109.2O1B—C11B—H11C109.1
C10A—C11A—H11A109.2C10B—C11B—H11C109.1
O1A—C11A—H11B109.2O1B—C11B—H11D109.1
C10A—C11A—H11B109.2C10B—C11B—H11D109.1
H11A—C11A—H11B107.9H11C—C11B—H11D107.8
C11A—O1A—C1A—O2A169.45 (15)C11B—O1B—C1B—O2B172.37 (16)
C11A—O1A—C1A—C2A14.7 (2)C11B—O1B—C1B—C2B10.0 (2)
O2A—C1A—C2A—C9A170.68 (16)O2B—C1B—C2B—C9B171.53 (17)
O1A—C1A—C2A—C9A13.6 (2)O1B—C1B—C2B—C9B10.9 (2)
O2A—C1A—C2A—C3A64.6 (2)O2B—C1B—C2B—C3B63.0 (2)
O1A—C1A—C2A—C3A111.15 (17)O1B—C1B—C2B—C3B114.60 (18)
C1A—C2A—C3A—C4A171.07 (14)C1B—C2B—C3B—C4B172.97 (14)
C9A—C2A—C3A—C4A61.18 (19)C9B—C2B—C3B—C4B59.14 (19)
C2A—C3A—C4A—C6A51.6 (2)C2B—C3B—C4B—C6B50.73 (19)
C2A—C3A—C4A—C5A177.22 (15)C2B—C3B—C4B—C5B176.61 (15)
C3A—C4A—C6A—C8A21.7 (2)C3B—C4B—C6B—C8B21.6 (2)
C5A—C4A—C6A—C8A144.93 (19)C5B—C4B—C6B—C8B145.57 (18)
C3A—C4A—C6A—C7A158.46 (17)C3B—C4B—C6B—C7B159.38 (16)
C5A—C4A—C6A—C7A35.2 (2)C5B—C4B—C6B—C7B35.4 (2)
C7A—C6A—C8A—C9A179.71 (17)C7B—C6B—C8B—C9B178.78 (17)
C4A—C6A—C8A—C9A0.1 (3)C4B—C6B—C8B—C9B0.2 (3)
C6A—C8A—C9A—C10A115.8 (2)C6B—C8B—C9B—C10B117.37 (19)
C6A—C8A—C9A—C2A8.0 (3)C6B—C8B—C9B—C2B7.1 (3)
C1A—C2A—C9A—C8A160.68 (14)C1B—C2B—C9B—C8B159.62 (15)
C3A—C2A—C9A—C8A37.52 (19)C3B—C2B—C9B—C8B35.6 (2)
C1A—C2A—C9A—C10A35.20 (19)C1B—C2B—C9B—C10B34.48 (19)
C3A—C2A—C9A—C10A87.96 (17)C3B—C2B—C9B—C10B89.56 (17)
C8A—C9A—C10A—C11A177.12 (14)C8B—C9B—C10B—C11B177.13 (15)
C2A—C9A—C10A—C11A57.82 (18)C2B—C9B—C10B—C11B57.39 (18)
C1A—O1A—C11A—C10A38.2 (2)C1B—O1B—C11B—C10B33.4 (2)
C9A—C10A—C11A—O1A59.84 (18)C9B—C10B—C11B—O1B56.98 (19)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C8B—H8B···O2Ai0.952.483.304 (2)144
C9A—H9A···O1Aii1.002.803.577 (2)135
C11A—H11A···O2Aiii0.992.823.455 (2)122
C11A—H11B···O2Aiv0.992.553.510 (2)162
C9B—H9B···O1Bi1.002.883.569 (2)127
C9B—H9B···O1Bii1.002.763.529 (2)134
C11B—H11C···O2Bi0.992.613.567 (2)164
Symmetry codes: (i) x+3/2, y1/2, z+1/2; (ii) x, y1, z; (iii) x+1/2, y+1/2, z+1/2; (iv) x+1/2, y1/2, z+1/2.

Experimental details

Crystal data
Chemical formulaC11H16O2
Mr180.24
Crystal system, space groupMonoclinic, P21/n
Temperature (K)150
a, b, c (Å)14.2924 (17), 5.4060 (6), 25.969 (3)
β (°) 96.530 (2)
V3)1993.4 (4)
Z8
Radiation typeMo Kα
µ (mm1)0.08
Crystal size (mm)0.48 × 0.11 × 0.03
Data collection
DiffractometerBruker SMART CCD area-detector
diffractometer
Absorption correctionMulti-scan
(SHELXTL/SADABS; Sheldrick, 1997)
Tmin, Tmax0.938, 1.000
No. of measured, independent and
observed [I > 2σ(I)] reflections
13507, 3517, 2526
Rint0.031
(sin θ/λ)max1)0.595
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.040, 0.100, 1.04
No. of reflections3517
No. of parameters239
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.21, 0.17

Computer programs: SMART (Bruker, 1998), SMART, SAINT (Bruker, 1998), SHELXS97 (Sheldrick, 1990), SHELXL97 (Sheldrick, 1997), SHELXTL (Sheldrick, 1998), SHELXTL.

Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C8B—H8B···O2Ai0.952.483.304 (2)144
C9A—H9A···O1Aii1.002.803.577 (2)135
C11A—H11A···O2Aiii0.992.823.455 (2)122
C11A—H11B···O2Aiv0.992.553.510 (2)162
C9B—H9B···O1Bi1.002.883.569 (2)127
C9B—H9B···O1Bii1.002.763.529 (2)134
C11B—H11C···O2Bi0.992.613.567 (2)164
Symmetry codes: (i) x+3/2, y1/2, z+1/2; (ii) x, y1, z; (iii) x+1/2, y+1/2, z+1/2; (iv) x+1/2, y1/2, z+1/2.
 

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