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The title compound, C28H32N2O7, which was obtained by condensation of 4′-acetyl­benzo-15-crown-5 and 2-naphthyl­oxy­acetic acid hydrazide, adopts a synanti conformation, which enables N—H...O intermolecular hydrogen bonds to be formed between centrosymmetrically related mol­ecules. The resulting eight-membered rings join these mol­ecules together as characteristic dimers. The naphthalene ring system is almost perpendicular to the crown ether ring.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804006671/rn6012sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804006671/rn6012Isup2.hkl
Contains datablock I

CCDC reference: 238825

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.059
  • wR factor = 0.149
  • Data-to-parameter ratio = 14.3

checkCIF/PLATON results

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Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 49 Perc. PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.56 Ratio PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... O3 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... O4 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C9' PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C11' PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C10 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... O3' PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... O4' PLAT301_ALERT_3_C Main Residue Disorder ......................... 16.00 Perc. PLAT412_ALERT_2_C Short Intra XH3 .. XHn H3 .. H16B .. 1.86 Ang. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 4
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 13 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 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 2 ALERT type 4 Improvement, methodology, query or suggestion

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 (Bruker, 1998); software used to prepare material for publication: SHELXTL.

(I) top
Crystal data top
C28H32N2O7F(000) = 1080
Mr = 508.56Dx = 1.313 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 8.808 (3) ÅCell parameters from 920 reflections
b = 24.579 (7) Åθ = 2.4–25.4°
c = 11.984 (4) ŵ = 0.10 mm1
β = 97.248 (6)°T = 293 K
V = 2573.6 (13) Å3Block, colorless
Z = 40.38 × 0.22 × 0.20 mm
Data collection top
Bruker SMART CCD area-detector
diffractometer
2575 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.051
Graphite monochromatorθmax = 26.4°, θmin = 1.9°
φ and ω scansh = 119
14670 measured reflectionsk = 3030
5263 independent reflectionsl = 1414
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)] = 0.059Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.149H atoms treated by a mixture of independent and constrained refinement
S = 1.01 w = 1/[σ2(Fo2) + (0.0576P)2 + 0.3872P]
where P = (Fo2 + 2Fc2)/3
5263 reflections(Δ/σ)max = 0.001
368 parametersΔρmax = 0.19 e Å3
46 restraintsΔρmin = 0.17 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*/UeqOcc. (<1)
N10.4595 (2)0.87764 (9)0.61312 (18)0.0513 (6)
N20.5024 (3)0.92519 (9)0.56379 (19)0.0569 (6)
H20.47410.95630.58670.068*
O10.2403 (2)0.67657 (7)0.87079 (15)0.0554 (5)
O20.4118 (2)0.68012 (7)0.71573 (15)0.0563 (5)
O50.0090 (2)0.59705 (9)0.84484 (18)0.0699 (6)
O60.6206 (3)0.96288 (8)0.42773 (18)0.0762 (6)
O70.7447 (2)0.84584 (8)0.54020 (15)0.0575 (5)
C10.2699 (3)0.72754 (11)0.8346 (2)0.0440 (6)
C20.2156 (3)0.77513 (12)0.8747 (2)0.0533 (7)
H2A0.15430.77400.93250.064*
C30.2511 (3)0.82472 (12)0.8300 (2)0.0535 (7)
H30.21360.85650.85840.064*
C40.3416 (3)0.82782 (11)0.7436 (2)0.0448 (6)
C50.3961 (3)0.77870 (11)0.7031 (2)0.0452 (7)
H50.45620.77980.64470.054*
C60.3628 (3)0.72958 (11)0.7473 (2)0.0429 (6)
C70.4995 (3)0.67722 (11)0.6235 (2)0.0584 (8)
H7A0.59690.69560.64200.070*
H7B0.44470.69430.55740.070*
O30.3939 (10)0.5915 (3)0.5503 (7)0.115 (4)0.612 (8)
O40.1672 (10)0.5119 (3)0.7134 (8)0.116 (3)0.612 (8)
C80.5241 (4)0.61800 (14)0.6020 (3)0.0758 (10)0.612 (8)
H8A0.60520.61440.55480.091*0.612 (8)
H8B0.55780.60020.67310.091*0.612 (8)
C90.3407 (15)0.5466 (4)0.5997 (9)0.109 (2)0.612 (8)
H9A0.42370.52050.61100.131*0.612 (8)
H9B0.26090.53060.54650.131*0.612 (8)
C100.2793 (10)0.5530 (3)0.7068 (6)0.0836 (19)0.612 (8)
H10A0.36080.54940.76890.100*0.612 (8)
H10B0.23350.58870.71100.100*0.612 (8)
C110.1223 (13)0.5080 (5)0.8233 (11)0.109 (4)0.612 (8)
H11A0.20510.52060.87830.130*0.612 (8)
H11B0.10220.47020.83980.130*0.612 (8)
C120.0157 (5)0.54054 (16)0.8327 (3)0.0959 (12)0.612 (8)
H12A0.08840.53430.76620.115*0.612 (8)
H12B0.06210.52760.89700.115*0.612 (8)
O3'0.3702 (10)0.5974 (4)0.5629 (11)0.077 (5)0.388 (8)
O4'0.1625 (10)0.5331 (4)0.6952 (9)0.066 (3)0.388 (8)
C8'0.5241 (4)0.61800 (14)0.6020 (3)0.0758 (10)0.388 (8)
H8'A0.59190.61310.54500.091*0.388 (8)
H8'B0.56740.59960.67040.091*0.388 (8)
C9'0.354 (2)0.5413 (5)0.5723 (13)0.109 (2)0.388 (8)
H9'A0.44750.52370.55650.131*0.388 (8)
H9'B0.27180.52910.51630.131*0.388 (8)
C10'0.3198 (11)0.5240 (6)0.6861 (10)0.0836 (19)0.388 (8)
H10C0.34380.48570.69740.100*0.388 (8)
H10D0.38270.54460.74350.100*0.388 (8)
C11'0.115 (2)0.5111 (7)0.7949 (17)0.101 (7)0.388 (8)
H11C0.20060.51210.85440.121*0.388 (8)
H11D0.08670.47330.78170.121*0.388 (8)
C12'0.0157 (5)0.54054 (16)0.8327 (3)0.0959 (12)0.388 (8)
H12C0.10580.53440.77880.115*0.388 (8)
H12D0.03590.52570.90440.115*0.388 (8)
C130.0872 (3)0.61291 (12)0.9502 (2)0.0627 (8)
H13A0.18040.59180.96710.075*
H13B0.02320.60651.00910.075*
C140.1244 (3)0.67139 (11)0.9446 (2)0.0545 (7)
H14A0.03410.69200.91560.065*
H14B0.16200.68501.01890.065*
C150.3820 (3)0.88045 (11)0.6963 (2)0.0491 (7)
C160.3321 (5)0.93209 (13)0.7475 (3)0.0909 (12)
H16A0.42050.95340.77460.136*
H16B0.27620.92350.80900.136*
H16C0.26780.95240.69170.136*
C170.5892 (3)0.92188 (12)0.4796 (2)0.0565 (8)
C180.6418 (3)0.86648 (11)0.4488 (2)0.0562 (7)
H18A0.55460.84230.43320.067*
H18B0.69280.86880.38180.067*
C190.7862 (3)0.79206 (12)0.5345 (2)0.0474 (7)
C200.8863 (3)0.77351 (14)0.6275 (2)0.0596 (8)
H200.91820.79710.68650.072*
C210.9361 (3)0.72145 (15)0.6311 (2)0.0676 (9)
H211.00100.70960.69370.081*
C220.8928 (3)0.68475 (13)0.5431 (2)0.0576 (8)
C230.9453 (4)0.63017 (15)0.5432 (3)0.0792 (10)
H231.01040.61710.60450.095*
C240.9018 (4)0.59705 (15)0.4555 (4)0.0864 (11)
H240.93840.56150.45610.104*
C250.8027 (4)0.61562 (14)0.3641 (3)0.0772 (10)
H250.77250.59220.30440.093*
C260.7496 (3)0.66718 (12)0.3608 (2)0.0586 (8)
H260.68320.67880.29880.070*
C270.7929 (3)0.70370 (12)0.4497 (2)0.0469 (7)
C280.7397 (3)0.75777 (11)0.4474 (2)0.0471 (7)
H280.67280.77010.38640.057*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
N10.0525 (14)0.0482 (14)0.0541 (14)0.0084 (11)0.0106 (12)0.0005 (11)
N20.0649 (16)0.0466 (15)0.0624 (15)0.0056 (12)0.0214 (14)0.0050 (12)
O10.0475 (11)0.0638 (13)0.0592 (12)0.0027 (9)0.0237 (10)0.0096 (10)
O20.0604 (12)0.0572 (13)0.0571 (12)0.0078 (10)0.0303 (10)0.0082 (9)
O50.0665 (14)0.0719 (16)0.0728 (15)0.0080 (11)0.0146 (12)0.0007 (11)
O60.0870 (16)0.0596 (14)0.0892 (16)0.0031 (12)0.0388 (13)0.0098 (12)
O70.0509 (12)0.0647 (14)0.0553 (12)0.0042 (10)0.0006 (10)0.0084 (10)
C10.0326 (14)0.0572 (18)0.0425 (15)0.0020 (13)0.0063 (12)0.0037 (13)
C20.0471 (16)0.072 (2)0.0440 (16)0.0028 (15)0.0165 (14)0.0019 (15)
C30.0516 (17)0.060 (2)0.0498 (17)0.0023 (14)0.0100 (15)0.0081 (14)
C40.0411 (15)0.0532 (18)0.0397 (15)0.0014 (13)0.0028 (13)0.0039 (13)
C50.0385 (15)0.0569 (18)0.0414 (15)0.0013 (13)0.0091 (12)0.0009 (13)
C60.0345 (14)0.0531 (18)0.0412 (15)0.0042 (12)0.0051 (12)0.0020 (13)
C70.0614 (18)0.066 (2)0.0532 (17)0.0029 (15)0.0277 (15)0.0028 (15)
O30.199 (9)0.081 (6)0.069 (5)0.075 (5)0.030 (5)0.004 (4)
O40.173 (7)0.067 (5)0.126 (6)0.040 (4)0.088 (5)0.015 (4)
C80.082 (3)0.077 (3)0.076 (2)0.002 (2)0.038 (2)0.0052 (19)
C90.124 (5)0.112 (4)0.100 (6)0.015 (4)0.042 (4)0.003 (3)
C100.088 (5)0.082 (6)0.083 (4)0.002 (4)0.022 (3)0.005 (4)
C110.130 (10)0.103 (9)0.102 (8)0.024 (8)0.046 (6)0.006 (6)
C120.103 (3)0.082 (3)0.110 (3)0.023 (2)0.046 (3)0.011 (2)
O3'0.098 (7)0.066 (8)0.061 (7)0.038 (7)0.009 (5)0.001 (5)
O4'0.061 (5)0.054 (6)0.088 (5)0.013 (4)0.026 (4)0.012 (4)
C8'0.082 (3)0.077 (3)0.076 (2)0.002 (2)0.038 (2)0.0052 (19)
C9'0.124 (5)0.112 (4)0.100 (6)0.015 (4)0.042 (4)0.003 (3)
C10'0.088 (5)0.082 (6)0.083 (4)0.002 (4)0.022 (3)0.005 (4)
C11'0.158 (17)0.074 (10)0.090 (11)0.048 (10)0.088 (11)0.028 (8)
C12'0.103 (3)0.082 (3)0.110 (3)0.023 (2)0.046 (3)0.011 (2)
C130.0599 (19)0.076 (2)0.0560 (19)0.0001 (16)0.0208 (16)0.0126 (16)
C140.0474 (16)0.076 (2)0.0437 (16)0.0008 (15)0.0187 (14)0.0057 (14)
C150.0502 (16)0.0542 (18)0.0422 (15)0.0032 (13)0.0031 (14)0.0056 (13)
C160.140 (3)0.057 (2)0.085 (2)0.003 (2)0.050 (2)0.0057 (18)
C170.0567 (19)0.055 (2)0.0595 (19)0.0059 (15)0.0127 (16)0.0008 (15)
C180.0612 (19)0.0569 (19)0.0514 (17)0.0028 (15)0.0109 (15)0.0003 (14)
C190.0382 (15)0.0626 (19)0.0430 (16)0.0028 (14)0.0110 (13)0.0006 (14)
C200.0502 (18)0.090 (2)0.0380 (16)0.0067 (17)0.0030 (14)0.0065 (16)
C210.0547 (19)0.100 (3)0.0456 (18)0.0102 (18)0.0017 (15)0.0136 (18)
C220.0490 (17)0.078 (2)0.0469 (18)0.0073 (16)0.0103 (15)0.0107 (16)
C230.073 (2)0.088 (3)0.076 (2)0.024 (2)0.0053 (19)0.022 (2)
C240.091 (3)0.073 (2)0.097 (3)0.023 (2)0.019 (2)0.004 (2)
C250.084 (3)0.073 (2)0.077 (2)0.008 (2)0.017 (2)0.0084 (19)
C260.0559 (18)0.067 (2)0.0532 (18)0.0080 (16)0.0085 (15)0.0009 (15)
C270.0365 (15)0.0636 (19)0.0425 (16)0.0019 (14)0.0123 (13)0.0020 (14)
C280.0372 (15)0.064 (2)0.0398 (15)0.0014 (13)0.0050 (12)0.0031 (14)
Geometric parameters (Å, º) top
N1—C151.279 (3)C12—H12B0.9700
N1—N21.384 (3)O3'—C9'1.393 (9)
N2—C171.343 (3)O4'—C10'1.422 (9)
N2—H20.8600O4'—C11'1.422 (9)
O1—C11.362 (3)C9'—C10'1.493 (9)
O1—C141.438 (3)C9'—H9'A0.9700
O2—C61.360 (3)C9'—H9'B0.9700
O2—C71.428 (3)C10'—H10C0.9700
O5—C121.411 (4)C10'—H10D0.9700
O5—C131.415 (3)C11'—H11C0.9700
O6—C171.233 (3)C11'—H11D0.9700
O7—C191.376 (3)C13—C141.478 (4)
O7—C181.424 (3)C13—H13A0.9700
C1—C21.373 (4)C13—H13B0.9700
C1—C61.408 (3)C14—H14A0.9700
C2—C31.383 (4)C14—H14B0.9700
C2—H2A0.9300C15—C161.499 (4)
C3—C41.386 (4)C16—H16A0.9600
C3—H30.9300C16—H16B0.9600
C4—C51.408 (3)C16—H16C0.9600
C4—C151.474 (4)C17—C181.500 (4)
C5—C61.366 (3)C18—H18A0.9700
C5—H50.9300C18—H18B0.9700
C7—C81.498 (4)C19—C281.363 (4)
C7—H7A0.9700C19—C201.407 (4)
C7—H7B0.9700C20—C211.352 (4)
O3—C91.363 (7)C20—H200.9300
O3—C81.394 (7)C21—C221.403 (4)
O4—C101.421 (7)C21—H210.9300
O4—C111.426 (8)C22—C271.413 (4)
C8—H8A0.9700C22—C231.419 (4)
C8—H8B0.9700C23—C241.346 (5)
C9—C101.463 (7)C23—H230.9300
C9—H9A0.9700C24—C251.389 (5)
C9—H9B0.9700C24—H240.9300
C10—H10A0.9700C25—C261.350 (4)
C10—H10B0.9700C25—H250.9300
C11—C121.471 (8)C26—C271.408 (4)
C11—H11A0.9700C26—H260.9300
C11—H11B0.9700C27—C281.408 (4)
C12—H12A0.9700C28—H280.9300
C15—N1—N2119.3 (2)H9'A—C9'—H9'B107.8
C17—N2—N1118.8 (2)O4'—C10'—C9'109.6 (9)
C17—N2—H2120.6O4'—C10'—H10C109.7
N1—N2—H2120.6C9'—C10'—H10C109.7
C1—O1—C14117.2 (2)O4'—C10'—H10D109.7
C6—O2—C7118.8 (2)C9'—C10'—H10D109.7
C12—O5—C13114.5 (3)H10C—C10'—H10D108.2
C19—O7—C18116.8 (2)O4'—C11'—H11C108.9
O1—C1—C2125.7 (2)O4'—C11'—H11D108.9
O1—C1—C6115.0 (2)H11C—C11'—H11D107.8
C2—C1—C6119.4 (2)O5—C13—C14108.3 (2)
C1—C2—C3120.6 (2)O5—C13—H13A110.0
C1—C2—H2A119.7C14—C13—H13A110.0
C3—C2—H2A119.7O5—C13—H13B110.0
C2—C3—C4121.1 (3)C14—C13—H13B110.0
C2—C3—H3119.4H13A—C13—H13B108.4
C4—C3—H3119.4O1—C14—C13107.0 (2)
C3—C4—C5117.6 (2)O1—C14—H14A110.3
C3—C4—C15121.7 (2)C13—C14—H14A110.3
C5—C4—C15120.7 (2)O1—C14—H14B110.3
C6—C5—C4121.7 (2)C13—C14—H14B110.3
C6—C5—H5119.2H14A—C14—H14B108.6
C4—C5—H5119.2N1—C15—C4115.5 (2)
O2—C6—C5126.2 (2)N1—C15—C16125.3 (3)
O2—C6—C1114.2 (2)C4—C15—C16119.2 (2)
C5—C6—C1119.6 (2)C15—C16—H16A109.5
O2—C7—C8106.6 (2)C15—C16—H16B109.5
O2—C7—H7A110.4H16A—C16—H16B109.5
C8—C7—H7A110.4C15—C16—H16C109.5
O2—C7—H7B110.4H16A—C16—H16C109.5
C8—C7—H7B110.4H16B—C16—H16C109.5
H7A—C7—H7B108.6O6—C17—N2120.9 (3)
C9—O3—C8119.6 (8)O6—C17—C18121.5 (3)
C10—O4—C11112.1 (8)N2—C17—C18117.6 (3)
O3—C8—C7113.6 (5)O7—C18—C17108.7 (2)
O3—C8—H8A108.8O7—C18—H18A109.9
C7—C8—H8A108.8C17—C18—H18A109.9
O3—C8—H8B108.8O7—C18—H18B109.9
C7—C8—H8B108.8C17—C18—H18B109.9
H8A—C8—H8B107.7H18A—C18—H18B108.3
O3—C9—C10118.7 (7)C28—C19—O7125.2 (3)
O3—C9—H9A107.6C28—C19—C20120.2 (3)
C10—C9—H9A107.6O7—C19—C20114.6 (3)
O3—C9—H9B107.6C21—C20—C19120.0 (3)
C10—C9—H9B107.6C21—C20—H20120.0
H9A—C9—H9B107.1C19—C20—H20120.0
O4—C10—C9108.0 (6)C20—C21—C22121.9 (3)
O4—C10—H10A110.1C20—C21—H21119.1
C9—C10—H10A110.1C22—C21—H21119.1
O4—C10—H10B110.1C21—C22—C27117.8 (3)
C9—C10—H10B110.1C21—C22—C23123.4 (3)
H10A—C10—H10B108.4C27—C22—C23118.9 (3)
O4—C11—C12111.2 (8)C24—C23—C22120.7 (3)
O4—C11—H11A109.4C24—C23—H23119.6
C12—C11—H11A109.4C22—C23—H23119.6
O4—C11—H11B109.4C23—C24—C25120.4 (3)
C12—C11—H11B109.4C23—C24—H24119.8
H11A—C11—H11B108.0C25—C24—H24119.8
O5—C12—C11115.2 (7)C26—C25—C24120.8 (3)
O5—C12—H12A108.5C26—C25—H25119.6
C11—C12—H12A108.5C24—C25—H25119.6
O5—C12—H12B108.5C25—C26—C27121.1 (3)
C11—C12—H12B108.5C25—C26—H26119.4
H12A—C12—H12B107.5C27—C26—H26119.4
C10'—O4'—C11'113.4 (9)C28—C27—C26121.9 (3)
O3'—C9'—C10'112.9 (10)C28—C27—C22119.9 (3)
O3'—C9'—H9'A109.0C26—C27—C22118.1 (3)
C10'—C9'—H9'A109.0C19—C28—C27120.1 (3)
O3'—C9'—H9'B109.0C19—C28—H28119.9
C10'—C9'—H9'B109.0C27—C28—H28119.9
C15—N1—N2—C17177.2 (2)N2—N1—C15—C160.3 (4)
C14—O1—C1—C210.0 (4)C3—C4—C15—N1176.5 (2)
C14—O1—C1—C6168.9 (2)C5—C4—C15—N14.3 (4)
O1—C1—C2—C3178.8 (2)C3—C4—C15—C163.8 (4)
C6—C1—C2—C30.1 (4)C5—C4—C15—C16175.3 (3)
C1—C2—C3—C40.2 (4)N1—N2—C17—O6174.6 (2)
C2—C3—C4—C50.0 (4)N1—N2—C17—C183.5 (4)
C2—C3—C4—C15179.2 (2)C19—O7—C18—C17170.1 (2)
C3—C4—C5—C60.6 (4)O6—C17—C18—O7115.6 (3)
C15—C4—C5—C6178.6 (2)N2—C17—C18—O766.3 (3)
C7—O2—C6—C53.9 (4)C18—O7—C19—C281.7 (3)
C7—O2—C6—C1176.5 (2)C18—O7—C19—C20179.2 (2)
C4—C5—C6—O2178.7 (2)C28—C19—C20—C210.3 (4)
C4—C5—C6—C10.9 (4)O7—C19—C20—C21179.5 (3)
O1—C1—C6—O22.0 (3)C19—C20—C21—C221.0 (4)
C2—C1—C6—O2179.0 (2)C20—C21—C22—C270.7 (4)
O1—C1—C6—C5178.3 (2)C20—C21—C22—C23178.8 (3)
C2—C1—C6—C50.7 (4)C21—C22—C23—C24178.9 (3)
C6—O2—C7—C8174.9 (2)C27—C22—C23—C240.6 (5)
C9—O3—C8—C7124.3 (9)C22—C23—C24—C251.1 (5)
O2—C7—C8—O374.0 (5)C23—C24—C25—C260.8 (5)
C8—O3—C9—C1066.6 (15)C24—C25—C26—C270.0 (5)
C11—O4—C10—C9168.5 (8)C25—C26—C27—C28179.4 (3)
O3—C9—C10—O4151.1 (11)C25—C26—C27—C220.5 (4)
C10—O4—C11—C1294.5 (12)C21—C22—C27—C280.2 (4)
C13—O5—C12—C1170.7 (7)C23—C22—C27—C28179.7 (3)
O4—C11—C12—O577.4 (11)C21—C22—C27—C26179.7 (3)
C11'—O4'—C10'—C9'171.9 (13)C23—C22—C27—C260.2 (4)
O3'—C9'—C10'—O4'78.8 (18)O7—C19—C28—C27178.5 (2)
C12—O5—C13—C14171.9 (2)C20—C19—C28—C270.6 (4)
C1—O1—C14—C13166.8 (2)C26—C27—C28—C19179.0 (2)
O5—C13—C14—O169.8 (3)C22—C27—C28—C190.9 (4)
N2—N1—C15—C4179.9 (2)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2···O6i0.862.152.963 (3)157
Symmetry code: (i) x+1, y+2, z+1.
 

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