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The acenaphthene keto O atom of the title compound, C31H24N2O4·0.5H2O, is displaced by 0.132 (2) Å from the acenaphthene plane, while the indole keto O atom is displaced by only 0.096 (2) Å from the ox­indole plane. The molecular structure is stabilized by intramolecular C—H...O interactions. The crystal packing is stabilized by C—H...O, N—H...O and N—H...N intermolecular interactions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804010736/bt6440sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804010736/bt6440Isup2.hkl
Contains datablock I

CCDC reference: 242327

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.083
  • wR factor = 0.219
  • Data-to-parameter ratio = 16.8

checkCIF/PLATON results

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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 ............ 0.50 Ratio PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.26 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.80 Ratio PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 5
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ZORTEP (Zsolnai, 1997) and PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97 and PARST (Nardelli, 1995).

4'-(4-Methoxybenzoyl)-1'-methyl-acenaphthene-1-spiro-2'-pyrrolidine- 3'-spiro-3''-1H-indole-2,2''(1H,3''H)-dione hemihydrate top
Crystal data top
C31H24N2O4·0.5H2OF(000) = 2088
Mr = 497.53Dx = 1.310 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
a = 25.647 (2) ÅCell parameters from 1300 reflections
b = 10.0538 (9) Åθ = 2.2–20.7°
c = 21.0859 (18) ŵ = 0.09 mm1
β = 111.933 (2)°T = 293 K
V = 5043.5 (7) Å3Block, colorless
Z = 80.21 × 0.20 × 0.20 mm
Data collection top
CCD Area Detector
diffractometer
3290 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.045
Graphite monochromatorθmax = 28.0°, θmin = 1.7°
ω scansh = 3226
15002 measured reflectionsk = 1312
5795 independent reflectionsl = 2627
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)] = 0.084Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.219H atoms treated by a mixture of independent and constrained refinement
S = 1.04 w = 1/[σ2(Fo2) + (0.0971P)2 + 2.3543P]
where P = (Fo2 + 2Fc2)/3
5795 reflections(Δ/σ)max < 0.001
345 parametersΔρmax = 0.24 e Å3
2 restraintsΔρmin = 0.40 e Å3
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
N10.20546 (11)0.6868 (2)0.31750 (12)0.0481 (6)
C20.19908 (12)0.5530 (3)0.34153 (14)0.0405 (7)
C30.16911 (11)0.4748 (3)0.27255 (13)0.0380 (7)
C40.13731 (13)0.5872 (3)0.22016 (16)0.0507 (8)
H40.15520.59180.18640.061*
C50.15224 (15)0.7162 (3)0.26104 (17)0.0586 (9)
H5A0.15680.78850.23310.070*
H5B0.12330.74010.27820.070*
C60.16272 (14)0.5515 (3)0.38729 (16)0.0487 (8)
C70.19589 (15)0.4869 (3)0.45229 (15)0.0501 (8)
C80.18413 (18)0.4570 (4)0.50962 (18)0.0692 (11)
H80.14900.47470.51110.083*
C90.2271 (2)0.3988 (4)0.56548 (19)0.0818 (14)
H90.21960.37560.60390.098*
C100.2789 (2)0.3752 (4)0.56536 (18)0.0799 (13)
H100.30610.33770.60380.096*
C110.29264 (17)0.4062 (3)0.50828 (16)0.0602 (10)
C120.34453 (18)0.3916 (4)0.5021 (2)0.0769 (12)
H120.37480.35660.53820.092*
C130.35103 (15)0.4286 (4)0.4433 (2)0.0722 (11)
H130.38600.41810.44030.087*
C140.30656 (13)0.4824 (3)0.38690 (18)0.0583 (9)
H140.31250.50810.34770.070*
C150.25491 (13)0.4964 (3)0.39051 (14)0.0439 (7)
C160.24873 (14)0.4592 (3)0.45187 (15)0.0481 (8)
C170.21367 (12)0.4140 (3)0.24859 (14)0.0381 (6)
N180.20791 (10)0.2805 (2)0.24663 (12)0.0408 (6)
H180.22990.22640.23700.049*
C190.16145 (11)0.2407 (3)0.26223 (13)0.0396 (7)
C200.14091 (13)0.1149 (3)0.26188 (16)0.0505 (8)
H200.15770.04170.25030.061*
C210.09421 (14)0.1002 (4)0.27935 (18)0.0600 (9)
H210.07940.01590.27960.072*
C220.06937 (14)0.2092 (4)0.29636 (17)0.0603 (9)
H220.03880.19720.30940.072*
C230.08950 (12)0.3358 (3)0.29424 (16)0.0512 (8)
H230.07150.40920.30360.061*
C240.13639 (11)0.3526 (3)0.27808 (13)0.0386 (7)
C250.07596 (15)0.5630 (4)0.18071 (17)0.0623 (10)
C260.05725 (14)0.4628 (3)0.12536 (16)0.0554 (9)
C270.09256 (15)0.3970 (4)0.10118 (17)0.0606 (9)
H270.13100.41330.12120.073*
C280.07296 (16)0.3063 (4)0.04756 (19)0.0679 (10)
H280.09800.26230.03240.081*
C290.01600 (17)0.2825 (4)0.0172 (2)0.0710 (10)
C300.01998 (18)0.3488 (4)0.0409 (2)0.0793 (12)
H300.05840.33300.02070.095*
C310.00027 (15)0.4375 (4)0.0938 (2)0.0699 (11)
H310.02540.48140.10890.084*
C320.22156 (18)0.7884 (3)0.37160 (19)0.0694 (11)
H32A0.19130.80130.38740.104*
H32B0.22940.87060.35380.104*
H32C0.25450.75950.40900.104*
O330.00877 (13)0.1998 (3)0.03640 (16)0.1022 (10)
O340.11676 (11)0.6028 (2)0.37120 (13)0.0700 (7)
O350.24728 (9)0.4777 (2)0.23240 (10)0.0505 (6)
O360.04163 (12)0.6258 (4)0.19511 (16)0.1074 (12)
O370.00000.8415 (5)0.25000.140 (2)
H370.019 (2)0.7908 (18)0.233 (3)0.168*
C380.0251 (2)0.1418 (6)0.0689 (3)0.124 (2)
H38A0.04460.21060.08270.186*
H38B0.00170.09290.10840.186*
H38C0.05190.08270.03770.186*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
N10.0725 (18)0.0298 (13)0.0447 (14)0.0024 (12)0.0249 (13)0.0010 (11)
C20.0519 (17)0.0340 (16)0.0381 (15)0.0014 (13)0.0198 (13)0.0004 (12)
C30.0420 (16)0.0359 (15)0.0337 (14)0.0042 (12)0.0113 (12)0.0022 (12)
C40.061 (2)0.0435 (18)0.0484 (18)0.0140 (15)0.0213 (16)0.0096 (14)
C50.082 (2)0.0392 (18)0.058 (2)0.0150 (16)0.0306 (19)0.0091 (15)
C60.060 (2)0.0400 (17)0.0522 (19)0.0028 (15)0.0280 (16)0.0084 (14)
C70.079 (2)0.0373 (17)0.0410 (17)0.0123 (15)0.0297 (16)0.0077 (13)
C80.109 (3)0.057 (2)0.054 (2)0.024 (2)0.045 (2)0.0150 (18)
C90.148 (4)0.065 (3)0.041 (2)0.035 (3)0.044 (3)0.0089 (18)
C100.128 (4)0.057 (2)0.038 (2)0.024 (2)0.012 (2)0.0010 (16)
C110.080 (3)0.0431 (19)0.0400 (18)0.0143 (18)0.0027 (17)0.0036 (14)
C120.073 (3)0.064 (2)0.061 (3)0.002 (2)0.014 (2)0.0020 (19)
C130.053 (2)0.079 (3)0.069 (3)0.0020 (19)0.0041 (19)0.009 (2)
C140.050 (2)0.065 (2)0.055 (2)0.0023 (17)0.0156 (16)0.0016 (17)
C150.0543 (19)0.0343 (16)0.0397 (16)0.0065 (13)0.0139 (14)0.0028 (12)
C160.068 (2)0.0337 (16)0.0399 (17)0.0122 (15)0.0170 (15)0.0064 (13)
C170.0453 (16)0.0371 (16)0.0328 (14)0.0003 (13)0.0155 (13)0.0004 (12)
N180.0447 (14)0.0347 (14)0.0458 (14)0.0039 (11)0.0200 (11)0.0029 (11)
C190.0414 (16)0.0385 (16)0.0342 (15)0.0013 (13)0.0088 (13)0.0018 (12)
C200.0549 (19)0.0427 (18)0.0497 (18)0.0040 (15)0.0149 (15)0.0031 (14)
C210.057 (2)0.058 (2)0.059 (2)0.0210 (18)0.0154 (17)0.0033 (17)
C220.0390 (18)0.085 (3)0.055 (2)0.0136 (18)0.0152 (15)0.0020 (18)
C230.0401 (17)0.062 (2)0.0496 (18)0.0001 (15)0.0151 (14)0.0028 (15)
C240.0372 (15)0.0440 (17)0.0324 (14)0.0002 (13)0.0104 (12)0.0038 (12)
C250.063 (2)0.073 (2)0.051 (2)0.0314 (19)0.0211 (17)0.0148 (17)
C260.059 (2)0.064 (2)0.0418 (18)0.0179 (17)0.0164 (16)0.0126 (16)
C270.0499 (19)0.074 (2)0.048 (2)0.0102 (17)0.0074 (16)0.0100 (18)
C280.067 (2)0.074 (3)0.057 (2)0.015 (2)0.0162 (19)0.0036 (19)
C290.071 (3)0.067 (3)0.065 (2)0.000 (2)0.013 (2)0.003 (2)
C300.062 (2)0.085 (3)0.083 (3)0.011 (2)0.018 (2)0.006 (2)
C310.059 (2)0.081 (3)0.074 (3)0.010 (2)0.029 (2)0.017 (2)
C320.114 (3)0.0390 (19)0.067 (2)0.0136 (19)0.047 (2)0.0108 (16)
O330.092 (2)0.093 (2)0.093 (2)0.0087 (18)0.0018 (18)0.0276 (18)
O340.0721 (17)0.0713 (17)0.0801 (18)0.0110 (14)0.0440 (14)0.0008 (14)
O350.0614 (13)0.0462 (13)0.0550 (13)0.0087 (10)0.0345 (11)0.0035 (10)
O360.0766 (19)0.148 (3)0.085 (2)0.0525 (19)0.0152 (16)0.0241 (19)
O370.168 (6)0.095 (4)0.197 (6)0.0000.115 (5)0.000
C380.129 (4)0.119 (4)0.093 (4)0.031 (3)0.005 (3)0.039 (3)
Geometric parameters (Å, º) top
N1—C51.467 (4)C17—N181.350 (3)
N1—C21.468 (4)N18—C191.407 (4)
N1—C321.470 (4)N18—H180.8600
C2—C151.529 (4)C19—C201.369 (4)
C2—C61.573 (4)C19—C241.397 (4)
C2—C31.578 (4)C20—C211.386 (5)
C3—C241.516 (4)C20—H200.9300
C3—C171.538 (4)C21—C221.381 (5)
C3—C41.578 (4)C21—H210.9300
C4—C251.500 (5)C22—C231.381 (5)
C4—C51.525 (4)C22—H220.9300
C4—H40.9800C23—C241.377 (4)
C5—H5A0.9700C23—H230.9300
C5—H5B0.9700C25—O361.211 (4)
C6—O341.213 (4)C25—C261.479 (5)
C6—C71.467 (4)C26—C271.365 (5)
C7—C81.384 (4)C26—C311.397 (5)
C7—C161.387 (4)C27—C281.392 (5)
C8—C91.405 (6)C27—H270.9300
C8—H80.9300C28—C291.379 (5)
C9—C101.350 (6)C28—H280.9300
C9—H90.9300C29—O331.355 (4)
C10—C111.410 (6)C29—C301.375 (6)
C10—H100.9300C30—C311.369 (6)
C11—C121.392 (6)C30—H300.9300
C11—C161.402 (4)C31—H310.9300
C12—C131.363 (6)C32—H32A0.9600
C12—H120.9300C32—H32B0.9600
C13—C141.413 (5)C32—H32C0.9600
C13—H130.9300O33—C381.418 (6)
C14—C151.362 (4)C38—H38A0.9600
C14—H140.9300C38—H38B0.9600
C15—C161.411 (4)C38—H38C0.9600
C17—O351.221 (3)
C5—N1—C2105.9 (2)C11—C16—C15123.3 (3)
C5—N1—C32113.4 (3)O35—C17—N18126.5 (3)
C2—N1—C32113.8 (2)O35—C17—C3124.9 (3)
N1—C2—C15112.2 (2)N18—C17—C3108.6 (2)
N1—C2—C6112.9 (2)C17—N18—C19111.6 (2)
C15—C2—C6101.7 (2)C17—N18—H18124.2
N1—C2—C3102.6 (2)C19—N18—H18124.2
C15—C2—C3116.6 (2)C20—C19—C24122.3 (3)
C6—C2—C3111.4 (2)C20—C19—N18128.2 (3)
C24—C3—C17101.8 (2)C24—C19—N18109.4 (2)
C24—C3—C4118.5 (2)C19—C20—C21117.7 (3)
C17—C3—C4107.9 (2)C19—C20—H20121.1
C24—C3—C2115.2 (2)C21—C20—H20121.1
C17—C3—C2109.6 (2)C22—C21—C20120.9 (3)
C4—C3—C2103.6 (2)C22—C21—H21119.6
C25—C4—C5116.2 (3)C20—C21—H21119.6
C25—C4—C3115.7 (3)C21—C22—C23120.6 (3)
C5—C4—C3105.0 (2)C21—C22—H22119.7
C25—C4—H4106.4C23—C22—H22119.7
C5—C4—H4106.4C24—C23—C22119.5 (3)
C3—C4—H4106.4C24—C23—H23120.2
N1—C5—C4104.4 (2)C22—C23—H23120.2
N1—C5—H5A110.9C23—C24—C19118.9 (3)
C4—C5—H5A110.9C23—C24—C3132.7 (3)
N1—C5—H5B110.9C19—C24—C3108.5 (2)
C4—C5—H5B110.9O36—C25—C26120.1 (3)
H5A—C5—H5B108.9O36—C25—C4119.2 (3)
O34—C6—C7127.8 (3)C26—C25—C4120.8 (3)
O34—C6—C2124.1 (3)C27—C26—C31117.6 (3)
C7—C6—C2107.9 (3)C27—C26—C25124.0 (3)
C8—C7—C16119.6 (3)C31—C26—C25118.3 (3)
C8—C7—C6132.3 (3)C26—C27—C28122.1 (3)
C16—C7—C6108.0 (3)C26—C27—H27118.9
C7—C8—C9117.7 (4)C28—C27—H27118.9
C7—C8—H8121.2C29—C28—C27119.3 (4)
C9—C8—H8121.2C29—C28—H28120.4
C10—C9—C8122.4 (4)C27—C28—H28120.4
C10—C9—H9118.8O33—C29—C30115.6 (4)
C8—C9—H9118.8O33—C29—C28125.4 (4)
C9—C10—C11121.6 (4)C30—C29—C28119.1 (4)
C9—C10—H10119.2C31—C30—C29121.2 (4)
C11—C10—H10119.2C31—C30—H30119.4
C12—C11—C16117.0 (3)C29—C30—H30119.4
C12—C11—C10127.5 (4)C30—C31—C26120.6 (4)
C16—C11—C10115.5 (4)C30—C31—H31119.7
C13—C12—C11120.1 (3)C26—C31—H31119.7
C13—C12—H12119.9N1—C32—H32A109.5
C11—C12—H12119.9N1—C32—H32B109.5
C12—C13—C14122.4 (4)H32A—C32—H32B109.5
C12—C13—H13118.8N1—C32—H32C109.5
C14—C13—H13118.8H32A—C32—H32C109.5
C15—C14—C13119.2 (3)H32B—C32—H32C109.5
C15—C14—H14120.4C29—O33—C38118.4 (4)
C13—C14—H14120.4O33—C38—H38A109.5
C14—C15—C16117.9 (3)O33—C38—H38B109.5
C14—C15—C2133.3 (3)H38A—C38—H38B109.5
C16—C15—C2108.7 (3)O33—C38—H38C109.5
C7—C16—C11123.2 (3)H38A—C38—H38C109.5
C7—C16—C15113.4 (3)H38B—C38—H38C109.5
C5—N1—C2—C15168.3 (2)C6—C7—C16—C151.6 (3)
C32—N1—C2—C1566.4 (3)C12—C11—C16—C7175.9 (3)
C5—N1—C2—C677.5 (3)C10—C11—C16—C73.4 (4)
C32—N1—C2—C647.7 (4)C12—C11—C16—C150.5 (5)
C5—N1—C2—C342.5 (3)C10—C11—C16—C15179.8 (3)
C32—N1—C2—C3167.7 (3)C14—C15—C16—C7175.2 (3)
N1—C2—C3—C24156.9 (2)C2—C15—C16—C71.8 (3)
C15—C2—C3—C2480.1 (3)C14—C15—C16—C111.5 (4)
C6—C2—C3—C2435.9 (3)C2—C15—C16—C11178.6 (3)
N1—C2—C3—C1789.1 (2)C24—C3—C17—O35174.3 (3)
C15—C2—C3—C1733.9 (3)C4—C3—C17—O3548.9 (4)
C6—C2—C3—C17149.9 (2)C2—C3—C17—O3563.3 (3)
N1—C2—C3—C425.8 (3)C24—C3—C17—N183.8 (3)
C15—C2—C3—C4148.8 (2)C4—C3—C17—N18129.3 (2)
C6—C2—C3—C495.2 (3)C2—C3—C17—N18118.6 (2)
C24—C3—C4—C251.1 (4)O35—C17—N18—C19174.1 (3)
C17—C3—C4—C25115.9 (3)C3—C17—N18—C194.0 (3)
C2—C3—C4—C25128.0 (3)C17—N18—C19—C20176.4 (3)
C24—C3—C4—C5130.5 (3)C17—N18—C19—C242.5 (3)
C17—C3—C4—C5114.7 (3)C24—C19—C20—C211.3 (4)
C2—C3—C4—C51.4 (3)N18—C19—C20—C21179.9 (3)
C2—N1—C5—C442.3 (3)C19—C20—C21—C220.1 (5)
C32—N1—C5—C4167.7 (3)C20—C21—C22—C232.1 (5)
C25—C4—C5—N1152.8 (3)C21—C22—C23—C243.1 (5)
C3—C4—C5—N123.7 (3)C22—C23—C24—C191.9 (4)
N1—C2—C6—O3450.7 (4)C22—C23—C24—C3178.9 (3)
C15—C2—C6—O34171.1 (3)C20—C19—C24—C230.3 (4)
C3—C2—C6—O3464.0 (4)N18—C19—C24—C23179.3 (2)
N1—C2—C6—C7125.4 (3)C20—C19—C24—C3179.1 (3)
C15—C2—C6—C75.0 (3)N18—C19—C24—C30.1 (3)
C3—C2—C6—C7119.9 (2)C17—C3—C24—C23177.0 (3)
O34—C6—C7—C85.6 (6)C4—C3—C24—C2358.9 (4)
C2—C6—C7—C8178.4 (3)C2—C3—C24—C2364.6 (4)
O34—C6—C7—C16171.7 (3)C17—C3—C24—C192.3 (3)
C2—C6—C7—C164.2 (3)C4—C3—C24—C19120.4 (3)
C16—C7—C8—C90.1 (5)C2—C3—C24—C19116.1 (3)
C6—C7—C8—C9177.2 (3)C5—C4—C25—O3617.5 (5)
C7—C8—C9—C101.8 (5)C3—C4—C25—O36106.3 (4)
C8—C9—C10—C111.0 (6)C5—C4—C25—C26163.2 (3)
C9—C10—C11—C12177.6 (4)C3—C4—C25—C2673.0 (4)
C9—C10—C11—C161.6 (5)O36—C25—C26—C27173.3 (4)
C16—C11—C12—C130.2 (5)C4—C25—C26—C277.4 (5)
C10—C11—C12—C13178.9 (3)O36—C25—C26—C314.0 (5)
C11—C12—C13—C140.0 (6)C4—C25—C26—C31175.3 (3)
C12—C13—C14—C151.0 (6)C31—C26—C27—C280.7 (5)
C13—C14—C15—C161.7 (5)C25—C26—C27—C28178.0 (3)
C13—C14—C15—C2177.8 (3)C26—C27—C28—C290.6 (5)
N1—C2—C15—C1451.4 (4)C27—C28—C29—O33178.1 (4)
C6—C2—C15—C14172.3 (3)C27—C28—C29—C300.2 (6)
C3—C2—C15—C1466.4 (4)O33—C29—C30—C31178.4 (4)
N1—C2—C15—C16125.0 (2)C28—C29—C30—C310.1 (6)
C6—C2—C15—C164.1 (3)C29—C30—C31—C260.2 (6)
C3—C2—C15—C16117.2 (3)C27—C26—C31—C300.6 (5)
C8—C7—C16—C112.6 (5)C25—C26—C31—C30178.0 (3)
C6—C7—C16—C11175.2 (3)C30—C29—O33—C38172.0 (4)
C8—C7—C16—C15179.3 (3)C28—C29—O33—C386.4 (6)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C4—H4···O350.982.482.947 (4)109
C5—H5B···O340.972.453.017 (4)116
C5—H5B···O360.972.462.804 (5)100
C14—H14···O350.932.403.038 (4)125
C23—H23···O340.932.433.079 (4)126
O37—H37···O360.87 (5)2.02 (4)2.848 (5)159 (4)
N18—H18···N1i0.862.383.146 (3)148
C20—H20···O35i0.932.413.143 (4)135
C21—H21···O37ii0.932.583.445 (5)154
C32—H32B···O35iii0.962.373.222 (4)147
N18—H18···O35i0.862.593.225 (3)131
Symmetry codes: (i) x+1/2, y1/2, z+1/2; (ii) x, y1, z; (iii) x+1/2, y+1/2, z+1/2.
 

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