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The title compound, C19H19N2OS+·Br-·0.5C3H7NO, is an oxygen-bridged phenyl­pyrimidine derivative in which the heterocyclic ring is protonated, the positive charge being dispersed over both of the N atoms. Both mol­ecules in the asymmetric unit exist in an identical conformation, which consists of a central planar portion with the two terminal phenyl rings protruding from the same side of the plane. One of the independent mol­ecules forms a strong hydrogen bond with the bromide anion, while the other is hydrogen bonded to the di­methyl­form­amide solvent mol­ecule.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100006727/sk1354sup1.cif
Contains datablocks default, II

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100006727/sk1354IIsup2.hkl
Contains datablock II

CCDC reference: 150840

Computing details top

Data collection: Syntex P21 diffractometer software; cell refinement: Syntex P21 diffractometer software; data reduction: XP21 (Pavelčík, 1987); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

(6R*,16R*)-9,14-Dihydro-6-methyl-6,16-methano-6H,16H-[2,4]benzo- thiazepino[3,4-d][1,3,5]benzoxadiazocine hydrobromide 0.5 dimethylformamide top
Crystal data top
C19H19N2OS·Br·0.5C3H7NODx = 1.437 Mg m3
Dm = 1.44 (1) Mg m3
Dm measured by flotation in bromoform/c-hexane
Mr = 439.89Melting point: 511 K
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 18.612 (8) ÅCell parameters from 15 reflections
b = 19.807 (9) Åθ = 10–22°
c = 11.087 (5) ŵ = 2.14 mm1
β = 95.94 (3)°T = 293 K
V = 4065 (3) Å3Plate, colourless
Z = 80.35 × 0.30 × 0.10 mm
F(000) = 1808
Data collection top
Syntex P21
diffractometer
3573 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.024
Graphite monochromatorθmax = 25.1°, θmin = 1.5°
θ/2θ scansh = 220
Absorption correction: ψ scan
(North et al., 1968)
k = 023
Tmin = 0.495, Tmax = 0.810l = 1212
7534 measured reflections2 standard reflections every 100 min
7166 independent reflections intensity decay: none
Refinement top
Refinement on F2H-atom parameters constrained
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.0758P)2]
where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.063(Δ/σ)max = 0.002
wR(F2) = 0.157Δρmax = 0.39 e Å3
S = 0.90Δρmin = 0.31 e Å3
7166 reflectionsExtinction correction: SHELXL97 (Sheldrick, 1997), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
483 parametersExtinction coefficient: 0.0017 (3)
0 restraints
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C1A0.3670 (5)0.1067 (6)0.7573 (9)0.074 (3)
H1A0.33410.07590.72030.089*
C2A0.4245 (6)0.0846 (6)0.8386 (11)0.088 (4)
H2A0.42890.03890.85690.106*
C3A0.4742 (7)0.1287 (8)0.8915 (11)0.101 (4)
H3A0.51230.11330.94540.122*
C4A0.4675 (5)0.1961 (7)0.8642 (10)0.082 (4)
H4A0.50200.22640.89820.099*
C5A0.4104 (5)0.2193 (6)0.7876 (8)0.059 (3)
O6A0.4056 (3)0.2875 (4)0.7611 (6)0.0685 (18)
C7A0.3422 (5)0.3108 (5)0.6914 (8)0.059 (3)
N8A0.2822 (4)0.3127 (3)0.7667 (6)0.0504 (19)
H8A0.28190.34540.81750.060*
C9A0.2281 (4)0.2685 (4)0.7642 (8)0.045 (2)
S10A0.16091 (12)0.29550 (12)0.8474 (2)0.0560 (7)
C11A0.0991 (4)0.2264 (5)0.8668 (8)0.060 (3)
H11A0.06730.23930.92680.072*
H11B0.06960.21890.79070.072*
C12A0.1363 (4)0.1617 (5)0.9060 (9)0.055 (3)
C13A0.1340 (5)0.1333 (6)1.0171 (9)0.072 (3)
H13A0.11160.15751.07460.086*
C14A0.1619 (7)0.0727 (8)1.0496 (12)0.107 (5)
H14A0.15850.05541.12680.128*
C15A0.1957 (6)0.0369 (6)0.9651 (13)0.096 (4)
H15A0.21500.00550.98460.116*
C16A0.2012 (5)0.0640 (5)0.8510 (11)0.072 (3)
H16A0.22480.03960.79530.087*
C17A0.1721 (4)0.1267 (5)0.8184 (9)0.052 (2)
C18A0.1786 (4)0.1577 (5)0.6981 (8)0.056 (3)
H18A0.19150.12290.64270.067*
H18B0.13200.17580.66660.067*
N19A0.2331 (3)0.2123 (4)0.7017 (6)0.0436 (17)
C20A0.2997 (4)0.1997 (5)0.6422 (8)0.053 (2)
H20A0.28950.16590.57810.063*
C21A0.3204 (4)0.2646 (5)0.5871 (8)0.060 (3)
H21A0.28000.28330.53570.072*
H21B0.36030.25770.53860.072*
C22A0.3594 (5)0.1745 (6)0.7325 (8)0.060 (3)
C23A0.3603 (5)0.3822 (5)0.6542 (8)0.076 (3)
H23A0.32190.39930.59790.113*
H23B0.40450.38180.61650.113*
H23C0.36590.41070.72470.113*
C1B0.1531 (5)0.3465 (5)0.4358 (9)0.063 (3)
H1B0.10590.33270.45900.076*
C2B0.1682 (6)0.3859 (5)0.3325 (10)0.081 (3)
H2B0.13160.39680.28490.098*
C3B0.2367 (7)0.4085 (5)0.3010 (10)0.081 (3)
H3B0.24600.43690.23440.097*
C4B0.2919 (6)0.3900 (5)0.3661 (9)0.070 (3)
H4B0.33880.40450.34230.084*
C5B0.2778 (5)0.3489 (4)0.4693 (8)0.050 (2)
O6B0.3370 (3)0.3302 (3)0.5260 (6)0.0621 (17)
C7B0.3202 (4)0.2965 (5)0.6396 (9)0.054 (2)
N8B0.2963 (4)0.3439 (3)0.7334 (6)0.055 (2)
H8B0.32900.36710.76400.066*
C9B0.2280 (4)0.3551 (4)0.7770 (8)0.046 (2)
S10B0.22457 (12)0.40999 (13)0.9003 (2)0.0613 (7)
C11B0.1319 (4)0.4289 (4)0.9549 (8)0.061 (3)
H11C0.13160.46421.01550.074*
H11D0.11030.38900.99430.074*
C12B0.0866 (4)0.4508 (5)0.8594 (8)0.051 (2)
C13B0.0580 (5)0.5159 (5)0.8583 (9)0.057 (3)
H13B0.06840.54660.91760.069*
C14B0.0151 (5)0.5356 (5)0.7718 (11)0.075 (3)
H14B0.00460.57880.77340.090*
C15B0.0013 (5)0.4905 (6)0.6822 (10)0.080 (3)
H15B0.02620.50450.62140.096*
C16B0.0267 (5)0.4268 (5)0.6804 (9)0.069 (3)
H16B0.01510.39660.62110.083*
C17B0.0707 (4)0.4065 (5)0.7687 (8)0.049 (2)
C18B0.0993 (4)0.3345 (4)0.7728 (8)0.054 (2)
H18C0.07090.30570.72520.064*
H18D0.09280.31850.85590.064*
N19B0.1755 (3)0.3281 (3)0.7270 (6)0.0443 (18)
C20B0.1935 (4)0.2846 (4)0.6157 (8)0.049 (2)
H20B0.15360.25350.60580.058*
C21B0.2603 (4)0.2459 (4)0.6333 (8)0.052 (2)
H21C0.25350.21990.70770.063*
H21D0.27190.21510.56610.063*
C22B0.2083 (5)0.3278 (4)0.5046 (8)0.049 (2)
C23B0.3916 (4)0.2634 (5)0.6664 (9)0.086 (3)
H23D0.40600.23070.60460.129*
H23E0.42830.29740.66730.129*
H23F0.38500.24140.74390.129*
Br10.26794 (5)0.44797 (4)0.93392 (9)0.0612 (3)
Br20.01535 (4)0.29124 (5)1.08177 (9)0.0553 (3)
C10.4056 (5)0.4182 (6)0.9516 (12)0.092 (4)
H10.36270.44060.97620.110*
C20.5217 (5)0.3823 (5)1.0024 (10)0.086 (3)
H2C0.52560.35041.06660.128*
H2D0.52240.35870.92670.128*
H2E0.56150.41330.99870.128*
C30.4424 (5)0.4544 (6)1.1417 (8)0.087 (4)
H3C0.43780.42201.20640.131*
H3D0.48240.48381.15120.131*
H3E0.39880.48051.14360.131*
N0.4549 (4)0.4191 (4)1.0251 (8)0.064 (2)
O0.4102 (4)0.3907 (5)0.8523 (9)0.137 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C1A0.047 (6)0.105 (10)0.074 (8)0.017 (6)0.023 (6)0.001 (7)
C2A0.067 (8)0.100 (10)0.101 (10)0.027 (7)0.028 (8)0.026 (9)
C3A0.085 (10)0.151 (14)0.070 (9)0.036 (10)0.021 (7)0.023 (10)
C4A0.028 (5)0.145 (12)0.072 (8)0.005 (7)0.004 (5)0.036 (9)
C5A0.037 (5)0.088 (8)0.054 (6)0.005 (6)0.016 (5)0.022 (7)
O6A0.046 (4)0.087 (5)0.071 (5)0.009 (4)0.004 (4)0.016 (4)
C7A0.054 (6)0.079 (8)0.045 (6)0.008 (6)0.011 (5)0.006 (6)
N8A0.060 (5)0.046 (4)0.045 (4)0.006 (4)0.010 (4)0.008 (4)
C9A0.039 (5)0.051 (6)0.043 (6)0.001 (5)0.000 (4)0.002 (5)
S10A0.0533 (14)0.0569 (15)0.0597 (16)0.0052 (13)0.0155 (13)0.0110 (14)
C11A0.033 (5)0.088 (7)0.062 (6)0.007 (5)0.019 (5)0.009 (6)
C12A0.038 (5)0.070 (7)0.056 (7)0.010 (5)0.001 (5)0.003 (6)
C13A0.083 (8)0.081 (8)0.051 (7)0.032 (7)0.004 (6)0.012 (7)
C14A0.105 (11)0.116 (13)0.096 (11)0.033 (9)0.007 (9)0.049 (10)
C15A0.090 (9)0.069 (9)0.126 (12)0.013 (7)0.012 (9)0.046 (9)
C16A0.059 (6)0.054 (7)0.102 (9)0.003 (5)0.001 (6)0.006 (7)
C17A0.036 (5)0.066 (7)0.054 (6)0.018 (5)0.003 (5)0.004 (6)
C18A0.041 (5)0.074 (7)0.049 (6)0.005 (5)0.015 (5)0.017 (6)
N19A0.032 (4)0.051 (4)0.047 (4)0.013 (4)0.004 (3)0.014 (4)
C20A0.043 (5)0.074 (7)0.043 (5)0.001 (5)0.016 (5)0.016 (6)
C21A0.052 (6)0.089 (8)0.041 (6)0.001 (5)0.010 (5)0.010 (6)
C22A0.062 (7)0.075 (7)0.044 (6)0.016 (6)0.008 (5)0.001 (6)
C23A0.085 (7)0.085 (8)0.063 (7)0.016 (6)0.036 (6)0.005 (6)
C1B0.077 (7)0.068 (7)0.047 (6)0.006 (6)0.010 (6)0.009 (6)
C2B0.088 (9)0.081 (8)0.073 (9)0.023 (7)0.000 (7)0.009 (7)
C3B0.134 (11)0.050 (7)0.056 (7)0.019 (8)0.000 (8)0.001 (6)
C4B0.092 (8)0.052 (7)0.059 (7)0.007 (6)0.024 (7)0.003 (6)
C5B0.057 (6)0.047 (6)0.044 (6)0.003 (5)0.004 (5)0.009 (5)
O6B0.044 (4)0.079 (5)0.062 (4)0.007 (3)0.000 (3)0.002 (4)
C7B0.038 (5)0.069 (6)0.059 (6)0.003 (5)0.014 (5)0.001 (6)
N8B0.055 (5)0.061 (5)0.053 (5)0.003 (4)0.018 (4)0.016 (4)
C9B0.037 (5)0.041 (5)0.061 (6)0.001 (4)0.016 (5)0.010 (5)
S10B0.0558 (15)0.0692 (17)0.0606 (17)0.0006 (13)0.0137 (13)0.0185 (14)
C11B0.072 (6)0.063 (6)0.046 (6)0.018 (5)0.006 (5)0.021 (5)
C12B0.051 (5)0.051 (6)0.049 (6)0.020 (5)0.009 (5)0.006 (6)
C13B0.055 (6)0.052 (7)0.062 (7)0.003 (5)0.010 (5)0.018 (6)
C14B0.059 (7)0.065 (7)0.097 (9)0.016 (6)0.007 (7)0.005 (7)
C15B0.070 (7)0.088 (9)0.085 (9)0.022 (7)0.021 (6)0.006 (8)
C16B0.042 (6)0.076 (8)0.089 (8)0.005 (5)0.003 (6)0.015 (7)
C17B0.031 (5)0.061 (6)0.054 (6)0.005 (5)0.002 (5)0.001 (6)
C18B0.052 (6)0.056 (6)0.051 (6)0.025 (5)0.003 (5)0.001 (5)
N19B0.034 (4)0.050 (4)0.048 (5)0.010 (3)0.001 (4)0.006 (4)
C20B0.052 (5)0.043 (5)0.052 (6)0.008 (5)0.008 (5)0.002 (5)
C21B0.062 (6)0.051 (6)0.044 (5)0.009 (5)0.004 (5)0.007 (5)
C22B0.054 (6)0.039 (5)0.051 (6)0.001 (5)0.004 (5)0.008 (5)
C23B0.045 (6)0.112 (9)0.108 (9)0.021 (6)0.035 (6)0.018 (8)
Br10.0783 (7)0.0412 (5)0.0662 (7)0.0008 (5)0.0180 (5)0.0002 (6)
Br20.0467 (5)0.0626 (6)0.0558 (6)0.0006 (5)0.0017 (4)0.0062 (5)
C10.042 (6)0.109 (10)0.130 (11)0.002 (6)0.037 (8)0.028 (9)
C20.054 (6)0.091 (8)0.113 (9)0.002 (6)0.017 (6)0.003 (7)
C30.071 (7)0.132 (10)0.058 (7)0.025 (7)0.004 (6)0.002 (8)
N0.035 (4)0.062 (5)0.094 (7)0.007 (4)0.010 (5)0.000 (5)
O0.070 (5)0.195 (10)0.151 (8)0.013 (5)0.041 (6)0.107 (8)
Geometric parameters (Å, º) top
C1A—C22A1.375 (12)C2B—C3B1.361 (13)
C1A—C2A1.396 (13)C3B—C4B1.366 (12)
C2A—C3A1.360 (15)C4B—C5B1.407 (12)
C3A—C4A1.372 (15)C5B—O6B1.374 (9)
C4A—C5A1.369 (13)C5B—C22B1.377 (11)
C5A—O6A1.384 (11)O6B—C7B1.431 (10)
C5A—C22A1.393 (12)C7B—N8B1.437 (10)
O6A—C7A1.419 (10)C7B—C21B1.506 (10)
C7A—N8A1.462 (10)C7B—C23B1.538 (10)
C7A—C21A1.498 (11)N8B—C9B1.332 (9)
C7A—C23A1.521 (12)C9B—N19B1.289 (9)
N8A—C9A1.332 (9)C9B—S10B1.742 (9)
C9A—N19A1.320 (9)S10B—C11B1.807 (8)
C9A—S10A1.715 (8)C11B—C12B1.484 (11)
S10A—C11A1.814 (8)C12B—C17B1.390 (11)
C11A—C12A1.500 (12)C12B—C13B1.396 (11)
C12A—C13A1.359 (12)C13B—C14B1.366 (12)
C12A—C17A1.414 (11)C14B—C15B1.379 (13)
C13A—C14A1.341 (14)C15B—C16B1.348 (12)
C14A—C15A1.379 (15)C16B—C17B1.399 (11)
C15A—C16A1.387 (14)C17B—C18B1.524 (11)
C16A—C17A1.388 (12)C18B—N19B1.462 (9)
C17A—C18A1.484 (11)N19B—C20B1.513 (9)
C18A—N19A1.481 (10)C20B—C21B1.490 (10)
N19A—C20A1.484 (9)C20B—C22B1.501 (11)
C20A—C21A1.491 (11)C1—O1.224 (12)
C20A—C22A1.502 (11)C1—N1.289 (11)
C1B—C2B1.390 (12)C2—N1.441 (10)
C1B—C22B1.392 (11)C3—N1.466 (11)
C22A—C1A—C2A119.5 (11)C2B—C3B—C4B120.8 (11)
C3A—C2A—C1A121.2 (12)C3B—C4B—C5B119.8 (10)
C2A—C3A—C4A119.2 (13)O6B—C5B—C22B124.2 (8)
C5A—C4A—C3A120.6 (12)O6B—C5B—C4B115.8 (9)
C4A—C5A—O6A119.1 (10)C22B—C5B—C4B119.9 (9)
C4A—C5A—C22A120.6 (11)C5B—O6B—C7B114.5 (6)
O6A—C5A—C22A120.2 (9)O6B—C7B—N8B110.8 (7)
C5A—O6A—C7A117.7 (7)O6B—C7B—C21B111.4 (7)
O6A—C7A—N8A109.7 (7)N8B—C7B—C21B107.0 (7)
O6A—C7A—C21A111.4 (8)O6B—C7B—C23B104.8 (7)
N8A—C7A—C21A107.1 (7)N8B—C7B—C23B110.3 (7)
O6A—C7A—C23A104.8 (8)C21B—C7B—C23B112.6 (8)
N8A—C7A—C23A109.6 (8)C9B—N8B—C7B125.7 (7)
C21A—C7A—C23A114.2 (8)N19B—C9B—N8B120.8 (8)
C9A—N8A—C7A126.3 (7)N19B—C9B—S10B129.0 (7)
N19A—C9A—N8A118.1 (7)N8B—C9B—S10B110.2 (6)
N19A—C9A—S10A129.8 (6)C9B—S10B—C11B110.4 (4)
N8A—C9A—S10A112.1 (7)C12B—C11B—S10B114.5 (6)
C9A—S10A—C11A109.6 (4)C17B—C12B—C13B117.8 (9)
C12A—C11A—S10A113.6 (6)C17B—C12B—C11B120.7 (9)
C13A—C12A—C17A118.7 (9)C13B—C12B—C11B121.5 (9)
C13A—C12A—C11A124.0 (10)C14B—C13B—C12B121.4 (9)
C17A—C12A—C11A117.1 (9)C13B—C14B—C15B119.1 (10)
C14A—C13A—C12A124.5 (12)C16B—C15B—C14B121.7 (10)
C13A—C14A—C15A117.9 (12)C15B—C16B—C17B119.2 (10)
C14A—C15A—C16A120.2 (11)C12B—C17B—C16B120.6 (9)
C17A—C16A—C15A121.4 (11)C12B—C17B—C18B117.9 (8)
C16A—C17A—C12A117.3 (9)C16B—C17B—C18B121.4 (8)
C16A—C17A—C18A122.6 (10)N19B—C18B—C17B113.6 (6)
C12A—C17A—C18A120.2 (9)C9B—N19B—C18B124.5 (7)
N19A—C18A—C17A113.5 (7)C9B—N19B—C20B118.2 (7)
C9A—N19A—C18A123.0 (7)C18B—N19B—C20B117.2 (6)
C9A—N19A—C20A118.9 (6)C21B—C20B—C22B108.4 (7)
C18A—N19A—C20A117.8 (7)C21B—C20B—N19B107.6 (6)
N19A—C20A—C21A107.5 (7)C22B—C20B—N19B110.6 (6)
N19A—C20A—C22A110.7 (7)C20B—C21B—C7B107.2 (7)
C21A—C20A—C22A110.7 (8)C5B—C22B—C1B119.2 (9)
C20A—C21A—C7A105.8 (7)C5B—C22B—C20B119.6 (8)
C1A—C22A—C5A118.8 (10)C1B—C22B—C20B121.2 (8)
C1A—C22A—C20A120.8 (10)O—C1—N125.9 (11)
C5A—C22A—C20A120.3 (10)C1—N—C2122.7 (10)
C2B—C1B—C22B120.2 (9)C1—N—C3120.3 (9)
C3B—C2B—C1B120.0 (11)C2—N—C3116.8 (8)
C22A—C1A—C2A—C3A1.6 (16)C1B—C2B—C3B—C4B3.6 (15)
C1A—C2A—C3A—C4A0.0 (18)C2B—C3B—C4B—C5B2.1 (15)
C2A—C3A—C4A—C5A1.9 (18)C3B—C4B—C5B—O6B177.2 (8)
C3A—C4A—C5A—O6A179.4 (9)C3B—C4B—C5B—C22B0.3 (13)
C3A—C4A—C5A—C22A2.2 (15)C22B—C5B—O6B—C7B10.9 (11)
C4A—C5A—O6A—C7A173.8 (8)C4B—C5B—O6B—C7B171.7 (7)
C22A—C5A—O6A—C7A9.1 (12)C5B—O6B—C7B—N8B76.8 (8)
C5A—O6A—C7A—N8A74.9 (9)C5B—O6B—C7B—C21B42.3 (10)
C5A—O6A—C7A—C21A43.6 (10)C5B—O6B—C7B—C23B164.3 (7)
C5A—O6A—C7A—C23A167.6 (7)O6B—C7B—N8B—C9B101.2 (9)
O6A—C7A—N8A—C9A103.9 (9)C21B—C7B—N8B—C9B20.4 (11)
C21A—C7A—N8A—C9A17.2 (12)C23B—C7B—N8B—C9B143.2 (8)
C23A—C7A—N8A—C9A141.6 (8)C7B—N8B—C9B—N19B7.7 (13)
C7A—N8A—C9A—N19A10.5 (12)C7B—N8B—C9B—S10B173.7 (7)
C7A—N8A—C9A—S10A169.8 (7)N19B—C9B—S10B—C11B1.4 (9)
N19A—C9A—S10A—C11A11.6 (9)N8B—C9B—S10B—C11B177.0 (6)
N8A—C9A—S10A—C11A167.9 (6)C9B—S10B—C11B—C12B50.4 (8)
C9A—S10A—C11A—C12A47.4 (8)S10B—C11B—C12B—C17B66.1 (9)
S10A—C11A—C12A—C13A111.3 (9)S10B—C11B—C12B—C13B114.7 (8)
S10A—C11A—C12A—C17A72.7 (9)C17B—C12B—C13B—C14B0.6 (12)
C17A—C12A—C13A—C14A1.9 (15)C11B—C12B—C13B—C14B178.6 (8)
C11A—C12A—C13A—C14A174.1 (9)C12B—C13B—C14B—C15B1.6 (14)
C12A—C13A—C14A—C15A0.6 (18)C13B—C14B—C15B—C16B2.7 (15)
C13A—C14A—C15A—C16A0.9 (18)C14B—C15B—C16B—C17B2.7 (15)
C14A—C15A—C16A—C17A1.0 (17)C13B—C12B—C17B—C16B0.6 (12)
C15A—C16A—C17A—C12A0.3 (13)C11B—C12B—C17B—C16B178.6 (7)
C15A—C16A—C17A—C18A178.5 (9)C13B—C12B—C17B—C18B177.5 (7)
C13A—C12A—C17A—C16A1.7 (12)C11B—C12B—C17B—C18B1.7 (11)
C11A—C12A—C17A—C16A174.6 (7)C15B—C16B—C17B—C12B1.7 (13)
C13A—C12A—C17A—C18A177.1 (8)C15B—C16B—C17B—C18B178.5 (8)
C11A—C12A—C17A—C18A6.6 (11)C12B—C17B—C18B—N19B79.1 (9)
C16A—C17A—C18A—N19A103.9 (9)C16B—C17B—C18B—N19B104.1 (9)
C12A—C17A—C18A—N19A74.9 (9)N8B—C9B—N19B—C18B176.3 (7)
N8A—C9A—N19A—C18A176.2 (7)S10B—C9B—N19B—C18B5.4 (12)
S10A—C9A—N19A—C18A3.3 (12)N8B—C9B—N19B—C20B1.4 (11)
N8A—C9A—N19A—C20A2.7 (11)S10B—C9B—N19B—C20B176.9 (6)
S10A—C9A—N19A—C20A176.8 (6)C17B—C18B—N19B—C9B64.9 (11)
C17A—C18A—N19A—C9A62.3 (10)C17B—C18B—N19B—C20B117.3 (8)
C17A—C18A—N19A—C20A111.2 (8)C9B—N19B—C20B—C21B37.5 (9)
C9A—N19A—C20A—C21A41.9 (9)C18B—N19B—C20B—C21B140.4 (7)
C18A—N19A—C20A—C21A144.3 (7)C9B—N19B—C20B—C22B80.7 (9)
C9A—N19A—C20A—C22A79.2 (10)C18B—N19B—C20B—C22B101.4 (8)
C18A—N19A—C20A—C22A94.7 (9)C22B—C20B—C21B—C7B55.9 (9)
N19A—C20A—C21A—C7A67.2 (8)N19B—C20B—C21B—C7B63.7 (8)
C22A—C20A—C21A—C7A53.9 (9)O6B—C7B—C21B—C20B66.5 (9)
O6A—C7A—C21A—C20A65.8 (9)N8B—C7B—C21B—C20B54.7 (9)
N8A—C7A—C21A—C20A54.2 (9)C23B—C7B—C21B—C20B176.1 (8)
C23A—C7A—C21A—C20A175.7 (7)O6B—C5B—C22B—C1B176.0 (8)
C2A—C1A—C22A—C5A1.3 (14)C4B—C5B—C22B—C1B1.2 (12)
C2A—C1A—C22A—C20A177.8 (8)O6B—C5B—C22B—C20B3.5 (12)
C4A—C5A—C22A—C1A0.6 (14)C4B—C5B—C22B—C20B179.2 (7)
O6A—C5A—C22A—C1A177.7 (8)C2B—C1B—C22B—C5B0.2 (13)
C4A—C5A—C22A—C20A175.9 (8)C2B—C1B—C22B—C20B179.3 (8)
O6A—C5A—C22A—C20A1.2 (13)C21B—C20B—C22B—C5B27.2 (10)
N19A—C20A—C22A—C1A87.7 (10)N19B—C20B—C22B—C5B90.6 (9)
C21A—C20A—C22A—C1A153.2 (8)C21B—C20B—C22B—C1B152.3 (8)
N19A—C20A—C22A—C5A95.8 (10)N19B—C20B—C22B—C1B89.9 (9)
C21A—C20A—C22A—C5A23.3 (11)O—C1—N—C24.7 (19)
C22B—C1B—C2B—C3B2.6 (14)O—C1—N—C3179.8 (12)
 

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