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The title compound, [NiCl2(C30H26N4)], is a monoclinic (purple) racemic polymorph of a previously reported orthorhombic (blue) form of the same compound. The complex exhibits pseudo-tetrahedral coordination geometry around the nickel(II) metal center. This geometry is enforced by the geometrically constraining ligand 2,2′-bis(1-ethyl­benzimidazol-2-yl)­bi­phenyl.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680400056X/om6201sup1.cif
Contains datablocks global, II

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680400056X/om6201IIsup2.hkl
Contains datablock II

CCDC reference: 234803

Key indicators

  • Single-crystal X-ray study
  • T = 297 K
  • Mean [sigma](C-C) = 0.009 Å
  • R factor = 0.059
  • wR factor = 0.169
  • Data-to-parameter ratio = 13.9

checkCIF/PLATON results

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Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.45 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.17 Ratio PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C47 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C48A PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C48B PLAT301_ALERT_3_C Main Residue Disorder ......................... 5.00 Perc. PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 8 PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 37.00 A   3
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 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 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Burnett & Johnson, 1996) and ORTEP-32 (Farrugia, 1997); software used to prepare material for publication: SHELXTL (Bruker, 2000).

rac-[2,2'-Bis(1-ethylbenzimidazol-2-yl-κN3)biphenyl]dichloronickel(II) top
Crystal data top
[NiCl2(C30H26N4)]F(000) = 1184
Mr = 572.15Dx = 1.359 Mg m3
Dm = 1.34 (1) Mg m3
Dm measured by flotation in CCl4/cyclohexane
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 765 reflections
a = 9.1464 (5) Åθ = 2.5–21.3°
b = 18.6955 (10) ŵ = 0.91 mm1
c = 16.4401 (10) ÅT = 297 K
β = 95.806 (4)°Rod, purple
V = 2796.8 (3) Å30.46 × 0.12 × 0.04 mm
Z = 4
Data collection top
Siemens P3
diffractometer with a Bruker SMART APEX CCD area-detector
4918 independent reflections
Radiation source: fine-focus sealed tube3033 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.071
φ and ω scansθmax = 25.0°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Blessing, 1995)
h = 1010
Tmin = 0.787, Tmax = 0.960k = 2222
20111 measured reflectionsl = 1519
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) = 0.169H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.0957P)2]
where P = (Fo2 + 2Fc2)/3
4918 reflections(Δ/σ)max < 0.001
353 parametersΔρmax = 0.63 e Å3
4 restraintsΔρmin = 0.43 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)
Ni0.72365 (7)0.15980 (4)0.20879 (4)0.0541 (3)
Cl20.76985 (17)0.27521 (8)0.18489 (9)0.0760 (5)
Cl10.86363 (16)0.06727 (9)0.18000 (10)0.0872 (5)
N110.6114 (4)0.1943 (2)0.4437 (2)0.0493 (10)
N130.6961 (4)0.1600 (2)0.3283 (2)0.0466 (9)
N410.3617 (6)0.0586 (3)0.0924 (3)0.097 (2)
N430.5375 (4)0.1309 (2)0.1425 (2)0.0478 (9)
C110.7457 (5)0.1627 (3)0.4655 (3)0.0506 (12)
C120.5867 (5)0.1914 (3)0.3612 (3)0.0471 (11)
C130.7973 (5)0.1406 (2)0.3936 (3)0.0481 (12)
C140.9314 (6)0.1040 (3)0.3951 (4)0.0678 (15)
H140.96720.08790.34740.081*
C151.0070 (6)0.0931 (4)0.4703 (4)0.0811 (18)
H151.09660.06930.47330.097*
C160.9544 (7)0.1165 (4)0.5432 (4)0.0840 (19)
H161.00910.10770.59260.195*
C170.8249 (6)0.1514 (3)0.5421 (3)0.0672 (15)
H170.78970.16720.59010.081*
C180.5101 (6)0.2222 (3)0.5007 (3)0.0681 (15)
H18A0.51380.19130.54830.082*
H18B0.41050.22130.47410.082*
C190.5488 (8)0.2973 (3)0.5276 (4)0.0895 (19)
H19A0.64720.29830.55420.134*
H19B0.48170.31330.56510.134*
H19C0.54220.32830.48080.134*
C210.3471 (5)0.1611 (3)0.2889 (3)0.0583 (14)
C220.4475 (5)0.2144 (3)0.3164 (3)0.0536 (13)
C230.4152 (7)0.2856 (3)0.3044 (3)0.0741 (17)
H230.48400.32010.32270.089*
C240.2807 (9)0.3064 (5)0.2652 (4)0.095 (2)
H240.25890.35450.25630.114*
C250.1799 (7)0.2542 (6)0.2396 (4)0.098 (3)
H250.08840.26750.21430.118*
C260.2122 (6)0.1827 (5)0.2508 (3)0.0820 (19)
H260.14270.14850.23260.098*
C310.3880 (5)0.0850 (3)0.3017 (3)0.0620 (14)
C320.4422 (6)0.0465 (3)0.2401 (3)0.0624 (15)
C330.4923 (8)0.0221 (3)0.2548 (4)0.088 (2)
H330.52860.04790.21280.106*
C340.4896 (9)0.0535 (3)0.3311 (4)0.096 (2)
H340.52710.09930.34080.115*
C350.4313 (8)0.0166 (4)0.3922 (4)0.094 (2)
H350.42490.03800.44280.112*
C360.3822 (6)0.0523 (4)0.3782 (3)0.0754 (17)
H360.34470.07760.42010.090*
C410.3953 (6)0.1014 (3)0.0278 (3)0.0721 (16)
C420.4500 (6)0.0782 (3)0.1595 (3)0.0636 (14)
C430.5038 (5)0.1466 (3)0.0602 (3)0.0501 (12)
C440.5595 (6)0.1985 (3)0.0114 (3)0.0640 (14)
H440.63330.22970.03220.077*
C450.5013 (7)0.2021 (3)0.0688 (3)0.0718 (16)
H450.53600.23660.10270.086*
C460.3928 (8)0.1558 (4)0.1002 (3)0.0844 (19)
H460.35650.16000.15490.101*
C470.3378 (8)0.1048 (4)0.0547 (4)0.096 (2)
H470.26540.07340.07660.116*
C48A0.2036 (10)0.0192 (5)0.0935 (5)0.153 (4)0.60
H48A0.17400.01250.14800.183*0.60
H48B0.12550.04140.05790.183*0.60
C49A0.2594 (13)0.0420 (5)0.0610 (6)0.163 (4)0.60
H49A0.18390.07780.05420.244*0.60
H49B0.34010.05960.09740.244*0.60
H49C0.29290.03120.00900.244*0.60
C48B0.2036 (10)0.0192 (5)0.0935 (5)0.153 (4)0.40
H48C0.17400.01250.14800.183*0.40
H48D0.12550.04140.05790.183*0.40
C49B0.2594 (13)0.0420 (5)0.0610 (6)0.163 (4)0.40
H49D0.18320.07740.05280.244*0.40
H49E0.33830.06030.09810.244*0.40
H49F0.29540.03090.00970.244*0.40
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni0.0564 (4)0.0649 (5)0.0426 (4)0.0137 (3)0.0126 (3)0.0113 (3)
Cl20.0902 (10)0.0673 (9)0.0697 (10)0.0217 (8)0.0039 (7)0.0031 (7)
Cl10.0781 (10)0.0932 (12)0.0927 (12)0.0061 (8)0.0204 (8)0.0286 (9)
N110.052 (2)0.058 (2)0.038 (2)0.002 (2)0.0074 (17)0.0045 (19)
N130.049 (2)0.051 (2)0.040 (2)0.0062 (19)0.0062 (17)0.0086 (18)
N410.099 (4)0.137 (5)0.050 (3)0.083 (4)0.008 (3)0.003 (3)
N430.055 (2)0.052 (2)0.036 (2)0.007 (2)0.0073 (17)0.0059 (18)
C110.051 (3)0.053 (3)0.047 (3)0.007 (2)0.007 (2)0.001 (2)
C120.053 (3)0.052 (3)0.037 (3)0.002 (2)0.007 (2)0.006 (2)
C130.043 (3)0.049 (3)0.052 (3)0.008 (2)0.003 (2)0.001 (2)
C140.061 (3)0.072 (4)0.071 (4)0.002 (3)0.010 (3)0.005 (3)
C150.057 (4)0.093 (5)0.091 (5)0.012 (3)0.002 (3)0.018 (4)
C160.071 (4)0.106 (5)0.073 (5)0.003 (4)0.005 (3)0.021 (4)
C170.067 (4)0.086 (4)0.048 (3)0.007 (3)0.000 (2)0.006 (3)
C180.074 (4)0.088 (4)0.043 (3)0.009 (3)0.014 (3)0.004 (3)
C190.116 (5)0.082 (5)0.074 (4)0.017 (4)0.023 (4)0.014 (4)
C210.042 (3)0.098 (4)0.035 (3)0.005 (3)0.008 (2)0.005 (3)
C220.057 (3)0.070 (4)0.034 (3)0.013 (3)0.008 (2)0.002 (2)
C230.081 (4)0.090 (5)0.049 (3)0.024 (3)0.002 (3)0.010 (3)
C240.107 (6)0.126 (6)0.052 (4)0.057 (5)0.009 (4)0.004 (4)
C250.063 (4)0.187 (9)0.044 (4)0.038 (5)0.007 (3)0.014 (5)
C260.058 (4)0.142 (7)0.046 (3)0.002 (4)0.005 (3)0.013 (4)
C310.056 (3)0.085 (4)0.044 (3)0.028 (3)0.001 (2)0.006 (3)
C320.077 (4)0.066 (4)0.042 (3)0.037 (3)0.002 (3)0.001 (3)
C330.138 (6)0.077 (5)0.050 (4)0.043 (4)0.011 (3)0.011 (3)
C340.161 (7)0.062 (4)0.063 (4)0.034 (4)0.003 (4)0.000 (3)
C350.144 (6)0.079 (5)0.055 (4)0.039 (4)0.004 (4)0.013 (4)
C360.082 (4)0.100 (5)0.045 (3)0.031 (4)0.008 (3)0.001 (3)
C410.087 (4)0.090 (4)0.039 (3)0.015 (3)0.004 (3)0.003 (3)
C420.069 (3)0.080 (4)0.041 (3)0.025 (3)0.002 (2)0.003 (3)
C430.058 (3)0.058 (3)0.035 (3)0.000 (2)0.009 (2)0.009 (2)
C440.086 (4)0.061 (3)0.049 (3)0.006 (3)0.021 (3)0.001 (3)
C450.109 (5)0.066 (4)0.044 (3)0.021 (4)0.023 (3)0.008 (3)
C460.115 (5)0.106 (5)0.032 (3)0.030 (4)0.006 (3)0.005 (3)
C470.116 (5)0.125 (6)0.043 (4)0.025 (5)0.014 (3)0.002 (4)
C48A0.203 (10)0.183 (9)0.072 (5)0.102 (9)0.013 (6)0.005 (6)
C49A0.229 (11)0.133 (8)0.140 (9)0.070 (8)0.085 (8)0.045 (7)
C48B0.203 (10)0.183 (9)0.072 (5)0.102 (9)0.013 (6)0.005 (6)
C49B0.229 (11)0.133 (8)0.140 (9)0.070 (8)0.085 (8)0.045 (7)
Geometric parameters (Å, º) top
Ni—N432.001 (4)C23—C241.385 (8)
Ni—N132.007 (4)C23—H230.9300
Ni—Cl12.2311 (16)C24—C251.379 (10)
Ni—Cl22.2411 (15)C24—H240.9300
N11—C121.354 (5)C25—C261.378 (10)
N11—C111.378 (6)C25—H250.9300
N11—C181.477 (6)C26—H260.9300
N13—C121.322 (6)C31—C321.375 (8)
N13—C131.392 (6)C31—C361.405 (7)
N41—C421.350 (6)C32—C331.376 (8)
N41—C411.387 (7)C32—C421.460 (7)
N41—C48A1.626 (10)C33—C341.388 (8)
N43—C421.317 (6)C33—H330.9300
N43—C431.388 (6)C34—C351.371 (10)
C11—C131.380 (7)C34—H340.9300
C11—C171.404 (7)C35—C361.375 (9)
C12—C221.469 (6)C35—H350.9300
C13—C141.403 (7)C36—H360.9300
C14—C151.370 (8)C41—C431.370 (7)
C14—H140.9300C41—C471.406 (7)
C15—C161.405 (9)C43—C441.389 (7)
C15—H150.9300C44—C451.371 (7)
C16—C171.350 (8)C44—H440.9300
C17—H170.9300C45—C461.378 (9)
C18—C191.504 (8)C45—H450.9300
C18—H18A0.9700C46—C471.340 (9)
C18—H18B0.9700C46—H460.9300
C19—H19A0.9600C47—H470.9300
C19—H19B0.9600C48A—C49A1.381 (9)
C19—H19C0.9600C48A—H48A0.9700
C21—C261.386 (8)C48A—H48B0.9700
C21—C221.399 (7)C49A—H49A0.9600
C21—C311.480 (8)C49A—H49B0.9600
C22—C231.373 (7)C49A—H49C0.9600
N43—Ni—N13110.49 (15)C25—C24—H24120.7
N43—Ni—Cl198.62 (12)C23—C24—H24120.7
N13—Ni—Cl1109.94 (12)C26—C25—C24121.2 (6)
N43—Ni—Cl2109.25 (12)C26—C25—H25119.4
N13—Ni—Cl2102.37 (11)C24—C25—H25119.4
Cl1—Ni—Cl2125.94 (7)C25—C26—C21120.9 (6)
C12—N11—C11107.3 (4)C25—C26—H26119.6
C12—N11—C18126.7 (4)C21—C26—H26119.6
C11—N11—C18125.9 (4)C32—C31—C36118.7 (6)
C12—N13—C13105.9 (4)C32—C31—C21120.2 (5)
C12—N13—Ni125.2 (3)C36—C31—C21120.9 (5)
C13—N13—Ni127.9 (3)C33—C32—C31119.9 (5)
C42—N41—C41108.0 (4)C33—C32—C42119.4 (5)
C42—N41—C48A125.0 (5)C31—C32—C42120.7 (5)
C41—N41—C48A122.4 (5)C32—C33—C34121.1 (6)
C42—N43—C43106.6 (4)C32—C33—H33119.5
C42—N43—Ni126.0 (3)C34—C33—H33119.5
C43—N43—Ni124.5 (3)C35—C34—C33119.6 (7)
N11—C11—C13106.2 (4)C35—C34—H34120.2
N11—C11—C17131.6 (5)C33—C34—H34120.2
C13—C11—C17122.2 (5)C34—C35—C36119.5 (6)
N13—C12—N11111.7 (4)C34—C35—H35120.2
N13—C12—C22125.4 (4)C36—C35—H35120.2
N11—C12—C22122.6 (4)C35—C36—C31121.1 (6)
C11—C13—N13108.9 (4)C35—C36—H36119.4
C11—C13—C14120.3 (5)C31—C36—H36119.4
N13—C13—C14130.8 (5)C43—C41—N41105.4 (4)
C15—C14—C13116.7 (5)C43—C41—C47122.1 (6)
C15—C14—H14121.7N41—C41—C47132.4 (6)
C13—C14—H14121.7N43—C42—N41110.8 (4)
C14—C15—C16122.6 (6)N43—C42—C32125.6 (4)
C14—C15—H15118.7N41—C42—C32123.5 (5)
C16—C15—H15118.7C41—C43—C44120.0 (5)
C17—C16—C15120.9 (5)C41—C43—N43109.2 (4)
C16—C17—C11117.2 (5)C44—C43—N43130.8 (5)
C16—C17—H17121.4C45—C44—C43117.4 (6)
C11—C17—H17121.4C45—C44—H44121.3
N11—C18—C19111.8 (5)C43—C44—H44121.3
N11—C18—H18A109.2C44—C45—C46121.7 (6)
C19—C18—H18A109.2C44—C45—H45119.2
N11—C18—H18B109.2C46—C45—H45119.2
C19—C18—H18B109.2C47—C46—C45122.3 (5)
H18A—C18—H18B107.9C47—C46—H46118.9
C18—C19—H19A109.5C45—C46—H46118.9
C18—C19—H19B109.5C46—C47—C41116.5 (6)
H19A—C19—H19B109.5C46—C47—H47121.7
C18—C19—H19C109.5C41—C47—H47121.7
H19A—C19—H19C109.5C49A—C48A—N4190.4 (7)
H19B—C19—H19C109.5C49A—C48A—H48A113.6
C26—C21—C22117.6 (6)N41—C48A—H48A113.6
C26—C21—C31123.0 (6)C49A—C48A—H48B113.6
C22—C21—C31119.4 (4)N41—C48A—H48B113.6
C23—C22—C21121.3 (5)H48A—C48A—H48B110.8
C23—C22—C12121.3 (5)C48A—C49A—H49A109.5
C21—C22—C12117.4 (5)C48A—C49A—H49B109.5
C22—C23—C24120.4 (6)H49A—C49A—H49B109.5
C22—C23—H23119.8C48A—C49A—H49C109.5
C24—C23—H23119.8H49A—C49A—H49C109.5
C25—C24—C23118.6 (7)H49B—C49A—H49C109.5
N43—Ni—N13—C1249.5 (4)C23—C24—C25—C261.5 (10)
Cl1—Ni—N13—C12157.3 (3)C24—C25—C26—C210.6 (9)
Cl2—Ni—N13—C1266.7 (4)C22—C21—C26—C250.8 (8)
N43—Ni—N13—C13143.9 (3)C31—C21—C26—C25179.3 (5)
Cl1—Ni—N13—C1336.1 (4)C26—C21—C31—C3283.4 (6)
Cl2—Ni—N13—C1399.8 (3)C22—C21—C31—C3296.8 (6)
N13—Ni—N43—C4243.3 (5)C26—C21—C31—C36101.2 (6)
Cl1—Ni—N43—C4271.9 (4)C22—C21—C31—C3678.6 (6)
Cl2—Ni—N43—C42155.2 (4)C36—C31—C32—C331.3 (7)
N13—Ni—N43—C43158.5 (3)C21—C31—C32—C33174.2 (5)
Cl1—Ni—N43—C4386.3 (4)C36—C31—C32—C42179.8 (4)
Cl2—Ni—N43—C4346.6 (4)C21—C31—C32—C424.7 (7)
C12—N11—C11—C130.7 (5)C31—C32—C33—C340.2 (9)
C18—N11—C11—C13176.0 (4)C42—C32—C33—C34178.7 (5)
C12—N11—C11—C17179.8 (5)C32—C33—C34—C352.4 (10)
C18—N11—C11—C173.6 (8)C33—C34—C35—C362.9 (10)
C13—N13—C12—N110.7 (5)C34—C35—C36—C311.4 (9)
Ni—N13—C12—N11168.3 (3)C32—C31—C36—C350.8 (8)
C13—N13—C12—C22173.5 (5)C21—C31—C36—C35174.7 (5)
Ni—N13—C12—C2217.4 (7)C42—N41—C41—C430.8 (7)
C11—N11—C12—N130.0 (5)C48A—N41—C41—C43156.1 (6)
C18—N11—C12—N13176.7 (4)C42—N41—C41—C47179.3 (7)
C11—N11—C12—C22174.4 (4)C48A—N41—C41—C4722.4 (12)
C18—N11—C12—C222.2 (8)C43—N43—C42—N410.3 (6)
N11—C11—C13—N131.1 (5)Ni—N43—C42—N41161.1 (4)
C17—C11—C13—N13179.3 (4)C43—N43—C42—C32177.0 (5)
N11—C11—C13—C14178.0 (4)Ni—N43—C42—C3221.6 (8)
C17—C11—C13—C141.6 (7)C41—N41—C42—N430.3 (7)
C12—N13—C13—C111.1 (5)C48A—N41—C42—N43155.8 (6)
Ni—N13—C13—C11167.5 (3)C41—N41—C42—C32177.7 (6)
C12—N13—C13—C14177.9 (5)C48A—N41—C42—C3221.5 (10)
Ni—N13—C13—C1413.5 (7)C33—C32—C42—N43110.7 (7)
C11—C13—C14—C151.2 (7)C31—C32—C42—N4368.2 (8)
N13—C13—C14—C15179.9 (5)C33—C32—C42—N4172.4 (8)
C13—C14—C15—C160.4 (9)C31—C32—C42—N41108.8 (7)
C14—C15—C16—C170.0 (10)N41—C41—C43—C44177.9 (5)
C15—C16—C17—C110.3 (9)C47—C41—C43—C440.7 (9)
N11—C11—C17—C16178.4 (5)N41—C41—C43—N431.0 (6)
C13—C11—C17—C161.1 (8)C47—C41—C43—N43179.7 (6)
C12—N11—C18—C1999.3 (6)C42—N43—C43—C410.9 (6)
C11—N11—C18—C1984.6 (6)Ni—N43—C43—C41160.9 (4)
C26—C21—C22—C231.4 (7)C42—N43—C43—C44178.0 (5)
C31—C21—C22—C23178.7 (5)Ni—N43—C43—C4420.3 (7)
C26—C21—C22—C12176.4 (4)C41—C43—C44—C450.1 (8)
C31—C21—C22—C123.5 (7)N43—C43—C44—C45178.6 (5)
N13—C12—C22—C23109.5 (6)C43—C44—C45—C460.5 (8)
N11—C12—C22—C2376.9 (7)C44—C45—C46—C470.1 (10)
N13—C12—C22—C2172.7 (6)C45—C46—C47—C410.8 (10)
N11—C12—C22—C21100.9 (6)C43—C41—C47—C461.2 (10)
C21—C22—C23—C240.6 (8)N41—C41—C47—C46177.1 (7)
C12—C22—C23—C24177.1 (5)C42—N41—C48A—C49A113.1 (8)
C22—C23—C24—C250.9 (9)C41—N41—C48A—C49A93.9 (8)
 

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