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The title compound, C10H10N2O4, crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. The five-membered ring of the oxazole moiety adopts a half-chair conformation in mol­ecule A and an envelope conformation in mol­ecule B. The oxazine ring adopts a sofa conformation in both mol­ecules.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680300401X/su6013sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680300401X/su6013Isup2.hkl
Contains datablock I

CCDC reference: 206793

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.076
  • wR factor = 0.095
  • Data-to-parameter ratio = 10.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry








Computing details top

Data collection: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1994); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: TEXSAN (Molecular Structure Corporation, 1995); program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: TEXSAN; molecular graphics: TEXSAN; software used to prepare material for publication: TEXSAN.

7-nitro-1,2,3a,4-tetrahydrobenzo[b][1,3] oxazolo [3,2-d] oxazine. top
Crystal data top
C10H10N2O4F(000) = 928
Mr = 222.20Dx = 1.518 Mg m3
Monoclinic, P21/cCu Kα radiation, λ = 1.5418 Å
Hall symbol: -P 2ybcCell parameters from 25 reflections
a = 12.164 (2) Åθ = 25.8–29.5°
b = 22.079 (4) ŵ = 1.02 mm1
c = 7.373 (2) ÅT = 298 K
β = 100.86 (2)°Block, yellow
V = 1944.6 (6) Å30.45 × 0.30 × 0.20 mm
Z = 8
Data collection top
Rigaku AFC-7S
diffractometer
3111 reflections with I > 0.5σ(I)
Radiation source: X-ray tubeRint = 0.082
Graphite monochromatorθmax = 70.0°, θmin = 3.7°
ω–2θ scansh = 1414
Absorption correction: ψ scans
(North et al., 1968)
k = 026
Tmin = 0.586, Tmax = 0.816l = 83
4615 measured reflections3 standard reflections every 150 reflections
3769 independent reflections intensity decay: ca 1.0%
Refinement top
Refinement on FPrimary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.076Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.095H-atom parameters constrained
S = 1.88Weighting scheme based on measured s.u.'s w = 1/[σ2(Fo) + 0.00016|Fo|2]
3111 reflections(Δ/σ)max = 0.002
289 parametersΔρmax = 0.33 e Å3
0 restraintsΔρmin = 0.42 e Å3
0 constraints
Special details top

Experimental. The scan width was (0.94 + 0.14tanθ)° with an ω scan speed of 16° per minute (up to 5 scans to achieve I/σ(I) > 15). Stationary background counts were recorded at each end of the scan, and the scan time:background time ratio was 2:1.

Structure was solved using direct methods (Altomare, A., et al. 1993). All calculations were performed using the TEXSAN software (Molecular Structure Corporation, USA. 1995).

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All e.s.d.'s are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
O1A0.6548 (2)0.21548 (10)0.9011 (5)0.0968 (12)
O2A0.4842 (3)0.24644 (10)0.8424 (6)0.1052 (12)
O3A0.25269 (15)0.06662 (7)0.6542 (3)0.0609 (6)
O4A0.2666 (2)0.09694 (8)0.6910 (3)0.0682 (7)
N1A0.5547 (2)0.20619 (11)0.8519 (4)0.0667 (9)
N2A0.4022 (2)0.02843 (9)0.6698 (3)0.0553 (7)
C1A0.4420 (2)0.02731 (10)0.7234 (3)0.0464 (8)
C2A0.5564 (2)0.03956 (12)0.7866 (4)0.0530 (8)
C3A0.5936 (2)0.09786 (13)0.8288 (4)0.0558 (9)
C4A0.5167 (2)0.14498 (11)0.8070 (4)0.0509 (8)
C5A0.4023 (2)0.13494 (11)0.7490 (4)0.0493 (8)
C6A0.3663 (2)0.07653 (10)0.7105 (3)0.0469 (7)
C7A0.2191 (2)0.00777 (12)0.7019 (5)0.0637 (9)
C8A0.2832 (3)0.03962 (11)0.6198 (4)0.0570 (8)
C9A0.3635 (3)0.13108 (13)0.6696 (4)0.0691 (10)
C10A0.4607 (3)0.08576 (11)0.7097 (4)0.0588 (9)
O1B0.01649 (19)0.07853 (8)0.6470 (3)0.0685 (8)
O2B0.15667 (17)0.11282 (8)0.7561 (3)0.0639 (7)
O3B0.21392 (14)0.25794 (7)0.5836 (3)0.0484 (6)
O4B0.22258 (19)0.42080 (8)0.6650 (3)0.0682 (7)
N1B0.07256 (17)0.12092 (8)0.6888 (3)0.0468 (6)
N2B0.07491 (18)0.35619 (8)0.6048 (3)0.0502 (7)
C1B0.03669 (19)0.29907 (9)0.6315 (3)0.0408 (7)
C2B0.0706 (2)0.28824 (10)0.6671 (3)0.0446 (7)
C3B0.10744 (19)0.22985 (10)0.6859 (3)0.0445 (7)
C4B0.03709 (19)0.18198 (9)0.6640 (3)0.0402 (6)
C5B0.06969 (18)0.19106 (9)0.6252 (3)0.0392 (6)
C6B0.10731 (18)0.24923 (9)0.6140 (3)0.0380 (6)
C7B0.2623 (2)0.31405 (10)0.6566 (4)0.0546 (8)
C8B0.1887 (2)0.36560 (11)0.5767 (4)0.0532 (8)
C9B0.1236 (3)0.45497 (12)0.6574 (6)0.0791 (13)
C10B0.0321 (3)0.41140 (10)0.6750 (4)0.0553 (8)
H1A0.608820.007190.801030.0652*
H2A0.670830.105740.872120.0682*
H3A0.350590.167630.736870.0596*
H4A0.233810.003650.832460.0772*
H5A0.141360.002610.656020.0772*
H6A0.260820.039700.489110.0697*
H7A0.375440.163770.754880.0842*
H8A0.355700.146390.547420.0842*
H9A0.513020.092160.630700.0712*
H10A0.498270.087960.834780.0712*
H1B0.118470.321410.679170.0539*
H2B0.179690.222560.712550.0547*
H3B0.115430.157570.607220.0479*
H4B0.268580.314100.787070.0677*
H5B0.334520.318620.626820.0677*
H6B0.189250.368900.448300.0649*
H7B0.132910.483500.755570.0963*
H8B0.106010.475850.542660.0963*
H9B0.037240.423320.601330.0681*
H10B0.023420.407160.799800.0681*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O1A0.0486 (13)0.0684 (14)0.168 (3)0.0149 (16)0.0067 (14)0.0116 (11)
O2A0.0650 (16)0.0487 (11)0.193 (3)0.0008 (15)0.0016 (18)0.0112 (11)
O3A0.0409 (10)0.0413 (9)0.0969 (14)0.0055 (9)0.0037 (9)0.0049 (7)
O4A0.0753 (14)0.0413 (9)0.0921 (15)0.0037 (9)0.0266 (11)0.0025 (9)
N1A0.0536 (14)0.0522 (12)0.0940 (19)0.0078 (12)0.0132 (12)0.0094 (10)
N2A0.0543 (13)0.0441 (11)0.0679 (14)0.0113 (9)0.0127 (10)0.0042 (9)
C1A0.0497 (14)0.0438 (12)0.0485 (13)0.0119 (9)0.0162 (10)0.0052 (10)
C2A0.0459 (14)0.0536 (13)0.0632 (15)0.0124 (11)0.0194 (11)0.0083 (11)
C3A0.0378 (12)0.0646 (16)0.0668 (16)0.0032 (12)0.0141 (11)0.0092 (11)
C4A0.0451 (13)0.0474 (13)0.0624 (15)0.0012 (11)0.0158 (11)0.0085 (10)
C5A0.0433 (13)0.0431 (11)0.0627 (15)0.0052 (10)0.0131 (10)0.0041 (10)
C6A0.0399 (12)0.0437 (12)0.0578 (14)0.0053 (10)0.0112 (10)0.0001 (9)
C7A0.0466 (14)0.0471 (13)0.098 (2)0.0004 (14)0.0155 (14)0.0092 (11)
C8A0.0568 (15)0.0419 (12)0.0715 (16)0.0059 (11)0.0102 (12)0.0012 (11)
C9A0.090 (2)0.0450 (14)0.0740 (18)0.0198 (13)0.0201 (16)0.0027 (14)
C10A0.0699 (18)0.0457 (13)0.0638 (16)0.0211 (11)0.0203 (13)0.0045 (12)
O1B0.0639 (12)0.0346 (9)0.1135 (17)0.0004 (9)0.0334 (11)0.0001 (8)
O2B0.0556 (11)0.0551 (10)0.0876 (14)0.0147 (9)0.0302 (10)0.0016 (9)
O3B0.0364 (9)0.0373 (8)0.0741 (12)0.0017 (7)0.0171 (8)0.0041 (6)
O4B0.0639 (13)0.0380 (9)0.1007 (16)0.0103 (9)0.0101 (11)0.0105 (8)
N1B0.0415 (10)0.0385 (10)0.0598 (12)0.0062 (8)0.0081 (9)0.0011 (8)
N2B0.0502 (12)0.0317 (9)0.0712 (14)0.0012 (8)0.0177 (9)0.0018 (8)
C1B0.0426 (12)0.0329 (10)0.0470 (12)0.0044 (8)0.0090 (9)0.0002 (9)
C2B0.0412 (12)0.0380 (11)0.0563 (14)0.0086 (9)0.0135 (9)0.0007 (9)
C3B0.0356 (11)0.0455 (11)0.0528 (13)0.0005 (10)0.0094 (9)0.0023 (9)
C4B0.0392 (11)0.0342 (10)0.0473 (12)0.0026 (8)0.0083 (9)0.0020 (8)
C5B0.0361 (11)0.0329 (10)0.0483 (12)0.0031 (8)0.0068 (9)0.0007 (8)
C6B0.0326 (11)0.0357 (10)0.0466 (11)0.0001 (8)0.0094 (8)0.0019 (8)
C7B0.0438 (13)0.0421 (12)0.0774 (18)0.0088 (12)0.0102 (11)0.0004 (10)
C8B0.0567 (15)0.0386 (12)0.0654 (15)0.0089 (11)0.0142 (12)0.0049 (10)
C9B0.084 (2)0.0389 (13)0.118 (3)0.0013 (15)0.028 (2)0.0107 (14)
C10B0.0700 (17)0.0317 (10)0.0665 (16)0.0059 (10)0.0186 (13)0.0022 (10)
Geometric parameters (Å, º) top
O1A—N1A1.221 (4)C2A—H1A0.9503
O2A—N1A1.228 (4)C3A—H2A0.9496
O3A—C6A1.383 (3)C5A—H3A0.9505
O3A—C7A1.426 (3)C7A—H5A0.9493
O4A—C8A1.399 (3)C7A—H4A0.9498
O4A—C9A1.433 (4)C8A—H6A0.9507
O1B—N1B1.231 (3)C9A—H7A0.9503
O2B—N1B1.231 (3)C9A—H8A0.9500
O3B—C6B1.371 (3)C10A—H9A0.9507
O3B—C7B1.432 (3)C10A—H10A0.9502
O4B—C8B1.406 (3)C1B—C2B1.399 (3)
O4B—C9B1.413 (4)C1B—C6B1.417 (3)
N1A—C4A1.446 (4)C2B—C3B1.380 (3)
N2A—C8A1.446 (4)C3B—C4B1.388 (3)
N2A—C1A1.354 (3)C4B—C5B1.396 (3)
N2A—C10A1.455 (3)C5B—C6B1.371 (3)
N1B—C4B1.438 (3)C7B—C8B1.498 (4)
N2B—C1B1.371 (3)C9B—C10B1.495 (5)
N2B—C8B1.453 (3)C2B—H1B0.9502
N2B—C10B1.458 (3)C3B—H2B0.9497
C1A—C2A1.408 (4)C5B—H3B0.9496
C1A—C6A1.416 (3)C7B—H4B0.9505
C2A—C3A1.380 (4)C7B—H5B0.9501
C3A—C4A1.388 (4)C8B—H6B0.9508
C4A—C5A1.394 (4)C9B—H7B0.9501
C5A—C6A1.374 (3)C9B—H8B0.9517
C7A—C8A1.499 (4)C10B—H9B0.9503
C9A—C10A1.535 (5)C10B—H10B0.9504
O1B···C7A3.222 (4)C1B···H4B2.8571
O2A···C7B3.162 (4)C2A···H10A2.9407
O2A···C9Ai3.289 (4)C2B···H10B2.9559
O2B···C3Aii3.200 (3)C2B···H9B3.0609
O2B···C8Aiii3.325 (4)C3A···H10Aiv2.9143
O3A···N2A2.765 (3)C4A···H10Aiv2.9623
O3B···N2B2.773 (3)C5B···H6Bviii2.8701
O1A···H7Aiv2.8677C9B···H4Avii3.0954
O1A···H7Ai2.8994C10A···H1A2.7302
O1A···H2Bv2.6579C10B···H1B2.7063
O1A···H2A2.4434H1A···H10A2.5317
O1B···H3B2.4256H1A···C10A2.7302
O1B···H7Bvi2.7031H1A···O4Bix2.7773
O1B···H10Bvii2.7123H1B···C10B2.7063
O1B···H5A2.5402H1B···O4Ax2.8395
O2A···H5B2.7001H1B···H9B2.5656
O2A···H7Ai2.7966H2A···O2Bv2.4156
O2A···H3A2.4079H2A···O1A2.4434
O2B···H2Aii2.4156H2B···O1Aii2.6579
O2B···H7Bvi2.8728H2B···O2B2.4532
O2B···H9Bviii2.7987H3A···O2A2.4079
O2B···H2B2.4532H3A···O3B2.7035
O2B···H6Aiii2.5724H3B···O1B2.4256
O3A···H6Bviii2.8204H3B···H6Bviii2.5732
O3A···H3B2.5927H3B···O3A2.5927
O3B···H4Bvii2.8809H4A···C9Bviii3.0954
O3B···H3A2.7035H4A···H8Bviii2.4354
O4A···H1Bvi2.8395H4A···C1A2.8460
O4B···H1Ai2.7773H4B···C1B2.8571
N1B···N2Bviii3.288 (3)H4B···O3Bviii2.8809
N2A···O3A2.765 (3)H5A···O1B2.5402
N2B···O3B2.773 (3)H5B···O2A2.7001
N2B···N1Bvii3.288 (3)H6A···H7Bvii2.4323
N2B···C4Bvii3.385 (3)H6A···O2Biii2.5724
C1B···C5Bviii3.593 (3)H6B···O3Avii2.8204
C1B···C3Bvii3.479 (3)H6B···C5Bvii2.8701
C1B···C4Bvii3.420 (3)H6B···H3Bvii2.5732
C2B···C5Bviii3.515 (3)H7A···O2Aix2.7966
C2B···C3Bvii3.514 (3)H7A···O1Aiv2.8677
C3A···C10Aiv3.596 (4)H7A···O1Aix2.8994
C3A···O2Bv3.200 (3)H7B···H6Aviii2.4323
C3B···C1Bviii3.479 (3)H7B···O1Bx2.7031
C3B···C2Bviii3.514 (3)H7B···O2Bx2.8728
C4B···C1Bviii3.420 (3)H8B···H9Bxi2.5394
C4B···N2Bviii3.385 (3)H8B···H4Avii2.4354
C5B···C2Bvii3.515 (3)H9B···H8Bxi2.5394
C5B···C8Bviii3.595 (4)H9B···O2Bvii2.7987
C5B···C1Bvii3.593 (3)H9B···H1B2.5656
C7A···O1B3.222 (4)H9B···C2B3.0609
C7B···O2A3.162 (4)H10A···C2A2.9407
C8A···O2Biii3.325 (4)H10A···H1A2.5317
C8B···C5Bvii3.595 (4)H10A···C3Aiv2.9143
C9A···O2Aix3.289 (4)H10A···C4Aiv2.9623
C10A···C3Aiv3.596 (4)H10B···C2B2.9559
C1A···H4A2.8460H10B···O1Bviii2.7123
C6A—O3A—C7A112.74 (19)C10A—C9A—H8A110.51
C8A—O4A—C9A104.8 (2)H7A—C9A—H8A109.43
C6B—O3B—C7B113.23 (18)C10A—C9A—H7A110.59
C8B—O4B—C9B105.7 (2)N2A—C10A—H9A111.33
O1A—N1A—C4A118.9 (2)N2A—C10A—H10A111.61
O1A—N1A—O2A122.8 (3)C9A—C10A—H10A111.46
O2A—N1A—C4A118.3 (3)H9A—C10A—H10A109.39
C8A—N2A—C10A109.3 (2)C9A—C10A—H9A111.43
C1A—N2A—C10A126.7 (2)N2B—C1B—C2B122.5 (2)
C1A—N2A—C8A121.0 (2)N2B—C1B—C6B118.3 (2)
O2B—N1B—C4B118.65 (19)C2B—C1B—C6B119.16 (19)
O1B—N1B—O2B122.1 (2)C1B—C2B—C3B120.7 (2)
O1B—N1B—C4B119.2 (2)C2B—C3B—C4B118.7 (2)
C1B—N2B—C10B124.4 (2)N1B—C4B—C3B119.5 (2)
C8B—N2B—C10B110.2 (2)N1B—C4B—C5B118.28 (19)
C1B—N2B—C8B120.67 (19)C3B—C4B—C5B122.15 (19)
N2A—C1A—C2A123.2 (2)C4B—C5B—C6B118.74 (19)
N2A—C1A—C6A119.1 (2)O3B—C6B—C1B120.96 (18)
C2A—C1A—C6A117.7 (2)O3B—C6B—C5B118.56 (19)
C1A—C2A—C3A121.0 (2)C1B—C6B—C5B120.5 (2)
C2A—C3A—C4A119.2 (2)O3B—C7B—C8B109.7 (2)
N1A—C4A—C5A118.4 (2)O4B—C8B—N2B105.2 (2)
C3A—C4A—C5A121.9 (2)O4B—C8B—C7B112.0 (2)
N1A—C4A—C3A119.6 (2)N2B—C8B—C7B110.5 (2)
C4A—C5A—C6A118.2 (2)O4B—C9B—C10B107.2 (2)
O3A—C6A—C1A119.9 (2)N2B—C10B—C9B100.7 (3)
O3A—C6A—C5A118.2 (2)C1B—C2B—H1B119.70
C1A—C6A—C5A121.9 (2)C3B—C2B—H1B119.62
O3A—C7A—C8A110.0 (2)C2B—C3B—H2B120.64
O4A—C8A—N2A105.5 (2)C4B—C3B—H2B120.64
O4A—C8A—C7A110.9 (3)C4B—C5B—H3B120.60
N2A—C8A—C7A110.5 (2)C6B—C5B—H3B120.67
O4A—C9A—C10A104.8 (2)O3B—C7B—H4B109.29
N2A—C10A—C9A101.5 (3)O3B—C7B—H5B109.71
C3A—C2A—H1A119.44C8B—C7B—H4B108.97
C1A—C2A—H1A119.54C8B—C7B—H5B109.78
C4A—C3A—H2A120.27H4B—C7B—H5B109.40
C2A—C3A—H2A120.54O4B—C8B—H6B109.76
C4A—C5A—H3A120.84N2B—C8B—H6B109.79
C6A—C5A—H3A120.91C7B—C8B—H6B109.51
O3A—C7A—H5A109.51O4B—C9B—H7B110.21
C8A—C7A—H4A109.23O4B—C9B—H8B109.94
O3A—C7A—H4A109.22C10B—C9B—H7B110.14
C8A—C7A—H5A109.35C10B—C9B—H8B110.02
H4A—C7A—H5A109.54H7B—C9B—H8B109.31
O4A—C8A—H6A110.16N2B—C10B—H9B111.50
N2A—C8A—H6A109.91N2B—C10B—H10B111.93
C7A—C8A—H6A109.83C9B—C10B—H9B111.55
O4A—C9A—H7A110.68C9B—C10B—H10B111.57
O4A—C9A—H8A110.75H9B—C10B—H10B109.40
C7A—O3A—C6A—C1A29.5 (3)C8B—N2B—C10B—C9B8.1 (3)
C7A—O3A—C6A—C5A151.8 (2)C8B—N2B—C1B—C2B177.1 (2)
C6A—O3A—C7A—C8A57.4 (3)C8B—N2B—C1B—C6B5.7 (3)
C9A—O4A—C8A—N2A35.9 (3)C1B—N2B—C10B—C9B163.5 (3)
C9A—O4A—C8A—C7A155.5 (3)N2A—C1A—C2A—C3A175.9 (3)
C8A—O4A—C9A—C10A37.4 (3)C6A—C1A—C2A—C3A2.0 (4)
C7B—O3B—C6B—C1B28.0 (3)C2A—C1A—C6A—C5A3.2 (3)
C6B—O3B—C7B—C8B56.7 (3)C2A—C1A—C6A—O3A178.2 (2)
C7B—O3B—C6B—C5B152.7 (2)N2A—C1A—C6A—O3A3.8 (3)
C9B—O4B—C8B—N2B28.5 (3)N2A—C1A—C6A—C5A174.9 (2)
C8B—O4B—C9B—C10B34.7 (3)C1A—C2A—C3A—C4A0.5 (4)
C9B—O4B—C8B—C7B148.5 (3)C2A—C3A—C4A—C5A2.0 (4)
O1A—N1A—C4A—C5A179.3 (3)C2A—C3A—C4A—N1A179.6 (3)
O1A—N1A—C4A—C3A3.0 (4)C3A—C4A—C5A—C6A0.9 (4)
O2A—N1A—C4A—C5A2.2 (5)N1A—C4A—C5A—C6A178.5 (3)
O2A—N1A—C4A—C3A175.5 (3)C4A—C5A—C6A—C1A1.7 (4)
C8A—N2A—C10A—C9A2.3 (3)C4A—C5A—C6A—O3A179.6 (2)
C10A—N2A—C8A—C7A140.5 (2)O3A—C7A—C8A—N2A52.9 (3)
C8A—N2A—C1A—C2A175.1 (2)O3A—C7A—C8A—O4A169.5 (2)
C10A—N2A—C1A—C2A16.7 (4)O4A—C9A—C10A—N2A23.7 (3)
C10A—N2A—C1A—C6A165.4 (2)N2B—C1B—C2B—C3B177.4 (2)
C8A—N2A—C1A—C6A7.0 (3)C2B—C1B—C6B—O3B178.4 (2)
C10A—N2A—C8A—O4A20.5 (3)C2B—C1B—C6B—C5B2.3 (3)
C1A—N2A—C8A—O4A141.2 (2)N2B—C1B—C6B—O3B4.4 (3)
C1A—N2A—C10A—C9A162.7 (2)N2B—C1B—C6B—C5B174.9 (2)
C1A—N2A—C8A—C7A21.3 (3)C6B—C1B—C2B—C3B0.3 (3)
O2B—N1B—C4B—C5B166.7 (2)C1B—C2B—C3B—C4B1.7 (3)
O2B—N1B—C4B—C3B10.9 (3)C2B—C3B—C4B—N1B178.0 (2)
O1B—N1B—C4B—C5B11.4 (3)C2B—C3B—C4B—C5B0.5 (3)
O1B—N1B—C4B—C3B171.0 (2)C3B—C4B—C5B—C6B2.0 (3)
C1B—N2B—C8B—O4B144.4 (2)N1B—C4B—C5B—C6B175.5 (2)
C10B—N2B—C1B—C2B24.1 (4)C4B—C5B—C6B—C1B3.4 (3)
C10B—N2B—C1B—C6B158.7 (2)C4B—C5B—C6B—O3B177.3 (2)
C10B—N2B—C8B—C7B133.2 (2)O3B—C7B—C8B—N2B53.6 (3)
C1B—N2B—C8B—C7B23.3 (3)O3B—C7B—C8B—O4B170.6 (2)
C10B—N2B—C8B—O4B12.1 (3)O4B—C9B—C10B—N2B25.7 (3)
Symmetry codes: (i) x+1, y+1/2, z+3/2; (ii) x1, y, z; (iii) x, y, z+1; (iv) x+1, y, z+2; (v) x+1, y, z; (vi) x, y1/2, z+3/2; (vii) x, y+1/2, z1/2; (viii) x, y+1/2, z+1/2; (ix) x+1, y1/2, z+3/2; (x) x, y+1/2, z+3/2; (xi) x, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C3A—H2A···O2Bv0.952.423.200 (3)140
C5B—H3B···O3A0.952.593.517 (3)165
C7A—H5A···O1B0.952.543.222 (4)129
C8A—H6A···O2Biii0.952.573.325 (4)136
Symmetry codes: (iii) x, y, z+1; (v) x+1, y, z.
 

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