1-Methyl-3,5-di­phenyl-1H-1,2,4-triazole

Two independent but virtually identical mol­ecules comprise the asymmetric unit in the title compound, C₁₅H₁₃N₃, in each of which the triazole ring is planar.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.005 Å
• R factor = 0.051
• wR factor = 0.141
• Data-to-parameter ratio = 14.9

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low ....         32 Perc.

Alert level C
GOODF01_ALERT_2_C  The least squares goodness of fit parameter lies
            outside the range 0.80 <> 2.00
            Goodness of fit given =      0.720
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT155_ALERT_4_C The Triclinic Unitcell is NOT Reduced ..........          ?
PLAT156_ALERT_4_C Axial System Input Cell not Standard ...........          ?
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1
              C15 H13 N3

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   7 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   2 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
   3 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: X-AREA (Stoe & Cie, 2002); cell refinement: X-AREA; data reduction: X-RED (Stoe & Cie, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

3,5-Diphenyl-1-methyl-1H-1,2,4-triazole

Crystal data

C15H13N3	Z = 4
Mr = 235.28	F(000) = 496
Triclinic, P1	Dx = 1.260 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.0796 (12) Å	Cell parameters from 7029 reflections
b = 7.0238 (11) Å	θ = 1.6–22.0°
c = 25.238 (4) Å	µ = 0.08 mm^−1
α = 86.954 (14)°	T = 293 K
β = 85.952 (14)°	Prismatic, colourless
γ = 82.653 (13)°	0.32 × 0.22 × 0.08 mm
V = 1240.3 (4) Å^3

Data collection

Stoe IPDS-2 diffractometer	4846 independent reflections
Radiation source: fine-focus sealed tube	1571 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.088
Detector resolution: 6.67 pixels mm^-1	θmax = 26.0°, θmin = 1.6°
ω rotation scans	h = −8→8
Absorption correction: integration numerical	k = −7→8
Tmin = 0.975, Tmax = 0.993	l = −30→30
17588 measured reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.051	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.141	w = 1/[σ^2(Fo^2) + (0.0647P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 0.72	(Δ/σ)max = 0.001
4846 reflections	Δρmax = 0.19 e Å^−3
326 parameters	Δρmin = −0.19 e Å^−3
0 restraints	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.030 (2)

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
C1A	0.2699 (5)	1.2870 (4)	−0.09350 (13)	0.0655 (8)
C2A	0.0770 (5)	1.3473 (5)	−0.09477 (14)	0.0762 (9)
H2A	0.0048	1.3774	−0.0634	0.091*
C3A	−0.0092 (5)	1.3632 (5)	−0.14253 (16)	0.0901 (11)
H3A	−0.1393	1.4035	−0.1432	0.108*
C4A	0.0973 (6)	1.3196 (5)	−0.18901 (16)	0.0908 (11)
H4A	0.0392	1.3304	−0.2211	0.109*
C5A	0.2882 (6)	1.2605 (5)	−0.18784 (14)	0.0879 (10)
H5A	0.3597	1.2310	−0.2193	0.106*
C6A	0.3764 (5)	1.2441 (5)	−0.14060 (14)	0.0786 (9)
H6A	0.5068	1.2043	−0.1403	0.094*
C7A	0.3617 (4)	1.2703 (4)	−0.04273 (13)	0.0642 (8)
C15A	0.7617 (4)	1.2012 (5)	0.03269 (14)	0.0806 (10)
H15A	0.8540	1.2055	0.0030	0.121*
H15B	0.7798	1.0772	0.0508	0.121*
H15C	0.7775	1.2985	0.0568	0.121*
C8A	0.3956 (4)	1.2423 (4)	0.04021 (13)	0.0630 (8)
C9A	0.3569 (5)	1.2233 (4)	0.09763 (13)	0.0679 (8)
C14A	0.4671 (5)	1.2940 (5)	0.13392 (15)	0.0821 (10)
H14A	0.5718	1.3559	0.1220	0.099*
C13A	0.4190 (6)	1.2711 (5)	0.18832 (16)	0.0938 (11)
H13A	0.4934	1.3167	0.2126	0.113*
C12A	0.2644 (7)	1.1829 (5)	0.20643 (16)	0.0980 (12)
H12A	0.2331	1.1689	0.2427	0.118*
C11A	0.1558 (5)	1.1149 (5)	0.17041 (15)	0.0916 (11)
H11A	0.0500	1.0549	0.1824	0.110*
C10A	0.2020 (5)	1.1349 (4)	0.11678 (14)	0.0753 (9)
H10A	0.1269	1.0877	0.0930	0.090*
N2A	0.5685 (4)	1.2356 (3)	0.01354 (11)	0.0687 (7)
N1A	0.2604 (3)	1.2658 (3)	0.00543 (10)	0.0663 (7)
N3A	0.5495 (4)	1.2532 (3)	−0.04010 (11)	0.0699 (7)
C1B	0.7810 (4)	0.2702 (5)	0.40323 (13)	0.0643 (8)
C2B	0.8344 (4)	0.0754 (5)	0.40086 (14)	0.0785 (9)
H2B	0.8596	0.0018	0.4319	0.094*
C3B	0.8508 (5)	−0.0119 (6)	0.35242 (17)	0.0932 (11)
H3B	0.8856	−0.1439	0.3511	0.112*
C4B	0.8157 (5)	0.0962 (7)	0.30668 (17)	0.0968 (12)
H4B	0.8280	0.0381	0.2742	0.116*
C5B	0.7625 (5)	0.2904 (7)	0.30881 (15)	0.0928 (11)
H5B	0.7388	0.3637	0.2777	0.111*
C6B	0.7439 (4)	0.3780 (5)	0.35700 (14)	0.0786 (9)
H6B	0.7064	0.5095	0.3583	0.094*
C7B	0.7650 (4)	0.3623 (5)	0.45508 (13)	0.0648 (8)
C15B	0.7037 (4)	0.7689 (4)	0.53087 (13)	0.0771 (9)
H15D	0.7068	0.8604	0.5013	0.116*
H15E	0.8019	0.7856	0.5540	0.116*
H15F	0.5815	0.7885	0.5501	0.116*
C8B	0.7428 (4)	0.4016 (4)	0.53780 (13)	0.0640 (8)
C9B	0.7286 (4)	0.3659 (4)	0.59516 (13)	0.0658 (8)
C14B	0.8021 (4)	0.4793 (5)	0.63015 (14)	0.0760 (9)
H14B	0.8620	0.5841	0.6170	0.091*
C13B	0.7871 (5)	0.4378 (6)	0.68429 (14)	0.0840 (10)
H13B	0.8369	0.5152	0.7072	0.101*
C12B	0.7008 (5)	0.2858 (6)	0.70448 (15)	0.0883 (11)
H12B	0.6910	0.2594	0.7410	0.106*
C11B	0.6270 (5)	0.1696 (5)	0.67022 (16)	0.0899 (11)
H11B	0.5686	0.0643	0.6837	0.108*
C10B	0.6409 (4)	0.2112 (5)	0.61637 (14)	0.0770 (9)
H10B	0.5903	0.1337	0.5937	0.092*
N2B	0.7356 (3)	0.5738 (3)	0.51138 (11)	0.0665 (7)
N1B	0.7618 (3)	0.2627 (3)	0.50276 (11)	0.0672 (7)
N3B	0.7490 (3)	0.5526 (4)	0.45762 (10)	0.0699 (7)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1A	0.069 (2)	0.0547 (19)	0.073 (2)	−0.0103 (16)	−0.0069 (17)	0.0032 (16)
C2A	0.072 (2)	0.077 (2)	0.080 (2)	−0.0028 (18)	−0.0125 (18)	−0.0073 (18)
C3A	0.079 (2)	0.090 (3)	0.100 (3)	0.001 (2)	−0.019 (2)	−0.008 (2)
C4A	0.105 (3)	0.085 (3)	0.086 (3)	−0.018 (2)	−0.024 (2)	−0.001 (2)
C5A	0.090 (3)	0.100 (3)	0.076 (3)	−0.016 (2)	−0.003 (2)	−0.007 (2)
C6A	0.075 (2)	0.075 (2)	0.085 (3)	−0.0090 (18)	−0.004 (2)	−0.0040 (19)
C7A	0.062 (2)	0.0548 (19)	0.076 (2)	−0.0092 (16)	−0.0041 (17)	−0.0005 (16)
C15A	0.060 (2)	0.078 (2)	0.107 (3)	−0.0066 (17)	−0.0203 (18)	−0.0076 (19)
C8A	0.059 (2)	0.0580 (19)	0.072 (2)	−0.0089 (16)	−0.0064 (17)	0.0000 (16)
C9A	0.072 (2)	0.0555 (19)	0.076 (2)	−0.0083 (17)	−0.0080 (18)	−0.0018 (17)
C14A	0.086 (2)	0.073 (2)	0.090 (3)	−0.0140 (19)	−0.018 (2)	−0.003 (2)
C13A	0.114 (3)	0.092 (3)	0.079 (3)	−0.014 (2)	−0.026 (2)	−0.009 (2)
C12A	0.132 (4)	0.083 (3)	0.079 (3)	−0.012 (3)	−0.007 (3)	−0.004 (2)
C11A	0.103 (3)	0.086 (3)	0.086 (3)	−0.019 (2)	0.011 (2)	−0.002 (2)
C10A	0.078 (2)	0.074 (2)	0.074 (2)	−0.0132 (19)	−0.0033 (18)	−0.0067 (18)
N2A	0.0598 (17)	0.0617 (16)	0.085 (2)	−0.0079 (13)	−0.0116 (14)	−0.0015 (14)
N1A	0.0644 (16)	0.0635 (16)	0.0710 (18)	−0.0100 (13)	−0.0046 (15)	0.0010 (13)
N3A	0.0667 (18)	0.0674 (17)	0.076 (2)	−0.0116 (14)	−0.0037 (14)	−0.0007 (14)
C1B	0.0560 (18)	0.069 (2)	0.069 (2)	−0.0115 (16)	−0.0025 (15)	−0.0035 (18)
C2B	0.081 (2)	0.077 (2)	0.077 (2)	−0.0085 (19)	0.0007 (18)	−0.0069 (19)
C3B	0.096 (3)	0.083 (3)	0.101 (3)	−0.010 (2)	0.006 (2)	−0.020 (3)
C4B	0.092 (3)	0.117 (4)	0.085 (3)	−0.026 (3)	0.000 (2)	−0.019 (3)
C5B	0.095 (3)	0.112 (3)	0.076 (3)	−0.025 (2)	−0.013 (2)	−0.005 (2)
C6B	0.075 (2)	0.080 (2)	0.084 (3)	−0.0127 (18)	−0.0136 (18)	−0.005 (2)
C7B	0.0601 (19)	0.062 (2)	0.073 (2)	−0.0091 (16)	−0.0051 (15)	0.0010 (18)
C15B	0.085 (2)	0.056 (2)	0.091 (3)	−0.0087 (17)	−0.0053 (18)	−0.0078 (17)
C8B	0.0585 (19)	0.059 (2)	0.075 (2)	−0.0056 (16)	−0.0057 (16)	−0.0038 (19)
C9B	0.0558 (18)	0.066 (2)	0.076 (2)	−0.0096 (16)	−0.0024 (16)	−0.0034 (18)
C14B	0.067 (2)	0.077 (2)	0.087 (3)	−0.0176 (18)	−0.0042 (18)	−0.005 (2)
C13B	0.088 (3)	0.091 (3)	0.073 (3)	−0.009 (2)	−0.0106 (19)	−0.006 (2)
C12B	0.077 (2)	0.116 (3)	0.071 (2)	−0.015 (2)	−0.0024 (19)	0.005 (2)
C11B	0.091 (3)	0.092 (3)	0.087 (3)	−0.019 (2)	−0.008 (2)	0.016 (2)
C10B	0.080 (2)	0.072 (2)	0.080 (3)	−0.0165 (19)	−0.0044 (18)	0.0004 (19)
N2B	0.0661 (16)	0.0576 (17)	0.0758 (19)	−0.0071 (13)	−0.0038 (13)	−0.0054 (15)
N1B	0.0661 (16)	0.0637 (17)	0.0722 (19)	−0.0105 (14)	−0.0033 (13)	−0.0034 (15)
N3B	0.0720 (17)	0.0687 (19)	0.0689 (19)	−0.0106 (14)	−0.0041 (13)	0.0012 (14)

Geometric parameters (Å, º)

N2a—N3a	1.367 (3)	C13A—H13A	0.9300
N1a—C7a	1.368 (3)	C12A—C11A	1.373 (5)
N1a—C8a	1.333 (3)	C12A—H12A	0.9300
N2a—C8a	1.351 (4)	C11A—C10A	1.374 (4)
N2a—C15a	1.469 (3)	C11A—H11A	0.9300
N3a—C7a	1.326 (3)	C10A—H10A	0.9300
N2b—N3b	1.368 (3)	C1B—C2B	1.375 (4)
N1b—C7b	1.360 (4)	C1B—C6B	1.379 (4)
N1b—C8b	1.339 (3)	C1B—C7B	1.482 (4)
N2b—C8b	1.347 (4)	C2B—C3B	1.388 (4)
N2b—C15b	1.465 (3)	C2B—H2B	0.9300
N3b—C7b	1.331 (3)	C3B—C4B	1.368 (5)
C1A—C2A	1.379 (4)	C3B—H3B	0.9300
C1A—C6A	1.388 (4)	C4B—C5B	1.371 (5)
C1A—C7A	1.470 (4)	C4B—H4B	0.9300
C2A—C3A	1.382 (4)	C5B—C6B	1.382 (4)
C2A—H2A	0.9300	C5B—H5B	0.9300
C3A—C4A	1.375 (5)	C6B—H6B	0.9300
C3A—H3A	0.9300	C15B—H15D	0.9600
C4A—C5A	1.364 (5)	C15B—H15E	0.9600
C4A—H4A	0.9300	C15B—H15F	0.9600
C5A—C6A	1.377 (4)	C8B—C9B	1.454 (4)
C5A—H5A	0.9300	C9B—C10B	1.384 (4)
C6A—H6A	0.9300	C9B—C14B	1.390 (4)
C15A—H15A	0.9600	C14B—C13B	1.382 (4)
C15A—H15B	0.9600	C14B—H14B	0.9300
C15A—H15C	0.9600	C13B—C12B	1.356 (5)
C8A—C9A	1.458 (4)	C13B—H13B	0.9300
C9A—C10A	1.375 (4)	C12B—C11B	1.391 (5)
C9A—C14A	1.394 (4)	C12B—H12B	0.9300
C14A—C13A	1.397 (5)	C11B—C10B	1.374 (4)
C14A—H14A	0.9300	C11B—H11B	0.9300
C13A—C12A	1.365 (5)	C10B—H10B	0.9300
C2A—C1A—C6A	119.4 (3)	C2B—C1B—C6B	119.4 (3)
C2A—C1A—C7A	120.2 (3)	C2B—C1B—C7B	120.0 (3)
C6A—C1A—C7A	120.4 (3)	C6B—C1B—C7B	120.7 (3)
C1A—C2A—C3A	120.1 (3)	C1B—C2B—C3B	120.3 (3)
C1A—C2A—H2A	119.9	C1B—C2B—H2B	119.8
C3A—C2A—H2A	119.9	C3B—C2B—H2B	119.8
C4A—C3A—C2A	120.1 (4)	C4B—C3B—C2B	119.9 (4)
C4A—C3A—H3A	119.9	C4B—C3B—H3B	120.0
C2A—C3A—H3A	119.9	C2B—C3B—H3B	120.0
C5A—C4A—C3A	119.8 (4)	C3B—C4B—C5B	120.0 (4)
C5A—C4A—H4A	120.1	C3B—C4B—H4B	120.0
C3A—C4A—H4A	120.1	C5B—C4B—H4B	120.0
C4A—C5A—C6A	120.8 (3)	C4B—C5B—C6B	120.4 (4)
C4A—C5A—H5A	119.6	C4B—C5B—H5B	119.8
C6A—C5A—H5A	119.6	C6B—C5B—H5B	119.8
C5A—C6A—C1A	119.7 (3)	C1B—C6B—C5B	120.0 (3)
C5A—C6A—H6A	120.1	C1B—C6B—H6B	120.0
C1A—C6A—H6A	120.1	C5B—C6B—H6B	120.0
N3A—C7A—N1A	114.8 (3)	N3B—C7B—N1B	115.4 (3)
N3A—C7A—C1A	122.5 (3)	N3B—C7B—C1B	121.0 (3)
N1A—C7A—C1A	122.7 (3)	N1B—C7B—C1B	123.6 (3)
N2A—C15A—H15A	109.5	N2B—C15B—H15D	109.5
N2A—C15A—H15B	109.5	N2B—C15B—H15E	109.5
H15A—C15A—H15B	109.5	H15D—C15B—H15E	109.5
N2A—C15A—H15C	109.5	N2B—C15B—H15F	109.5
H15A—C15A—H15C	109.5	H15D—C15B—H15F	109.5
H15B—C15A—H15C	109.5	H15E—C15B—H15F	109.5
N1A—C8A—N2A	109.1 (3)	N1B—C8B—N2B	109.3 (3)
N1A—C8A—C9A	123.9 (3)	N1B—C8B—C9B	123.8 (3)
N2A—C8A—C9A	127.0 (3)	N2B—C8B—C9B	126.9 (3)
C10A—C9A—C14A	118.5 (3)	C10B—C9B—C14B	117.9 (3)
C10A—C9A—C8A	118.3 (3)	C10B—C9B—C8B	119.3 (3)
C14A—C9A—C8A	123.1 (3)	C14B—C9B—C8B	122.8 (3)
C9A—C14A—C13A	119.4 (4)	C13B—C14B—C9B	120.6 (3)
C9A—C14A—H14A	120.3	C13B—C14B—H14B	119.7
C13A—C14A—H14A	120.3	C9B—C14B—H14B	119.7
C12A—C13A—C14A	121.1 (4)	C12B—C13B—C14B	120.9 (3)
C12A—C13A—H13A	119.5	C12B—C13B—H13B	119.6
C14A—C13A—H13A	119.5	C14B—C13B—H13B	119.6
C13A—C12A—C11A	119.2 (4)	C13B—C12B—C11B	119.6 (4)
C13A—C12A—H12A	120.4	C13B—C12B—H12B	120.2
C11A—C12A—H12A	120.4	C11B—C12B—H12B	120.2
C12A—C11A—C10A	120.5 (4)	C10B—C11B—C12B	119.6 (4)
C12A—C11A—H11A	119.7	C10B—C11B—H11B	120.2
C10A—C11A—H11A	119.7	C12B—C11B—H11B	120.2
C11A—C10A—C9A	121.3 (3)	C11B—C10B—C9B	121.5 (3)
C11A—C10A—H10A	119.3	C11B—C10B—H10B	119.3
C9A—C10A—H10A	119.3	C9B—C10B—H10B	119.3
C8A—N2A—N3A	110.6 (2)	C8B—N2B—N3B	110.8 (2)
C8A—N2A—C15A	130.8 (3)	C8B—N2B—C15B	130.8 (3)
N3A—N2A—C15A	118.5 (3)	N3B—N2B—C15B	118.3 (3)
C8A—N1A—C7A	103.4 (2)	C8B—N1B—C7B	103.0 (2)
C7A—N3A—N2A	102.1 (2)	C7B—N3B—N2B	101.5 (2)
C6A—C1A—C2A—C3A	0.5 (5)	C6B—C1B—C2B—C3B	0.0 (5)
C7A—C1A—C2A—C3A	179.9 (3)	C7B—C1B—C2B—C3B	−179.6 (3)
C1A—C2A—C3A—C4A	−0.3 (5)	C1B—C2B—C3B—C4B	0.7 (5)
C2A—C3A—C4A—C5A	0.0 (6)	C2B—C3B—C4B—C5B	−0.7 (6)
C3A—C4A—C5A—C6A	−0.1 (6)	C3B—C4B—C5B—C6B	0.0 (6)
C4A—C5A—C6A—C1A	0.4 (5)	C2B—C1B—C6B—C5B	−0.7 (5)
C2A—C1A—C6A—C5A	−0.6 (5)	C7B—C1B—C6B—C5B	178.9 (3)
C7A—C1A—C6A—C5A	−180.0 (3)	C4B—C5B—C6B—C1B	0.7 (5)
C2A—C1A—C7A—N3A	−165.3 (3)	C2B—C1B—C7B—N3B	167.3 (3)
C6A—C1A—C7A—N3A	14.1 (4)	C6B—C1B—C7B—N3B	−12.3 (4)
C2A—C1A—C7A—N1A	16.5 (4)	C2B—C1B—C7B—N1B	−14.0 (4)
C6A—C1A—C7A—N1A	−164.1 (3)	C6B—C1B—C7B—N1B	166.4 (3)
N1A—C8A—C9A—C10A	32.5 (4)	N1B—C8B—C9B—C10B	−32.4 (4)
N2A—C8A—C9A—C10A	−146.1 (3)	N2B—C8B—C9B—C10B	146.2 (3)
N1A—C8A—C9A—C14A	−146.2 (3)	N1B—C8B—C9B—C14B	146.6 (3)
N2A—C8A—C9A—C14A	35.3 (5)	N2B—C8B—C9B—C14B	−34.8 (4)
C10A—C9A—C14A—C13A	0.8 (5)	C10B—C9B—C14B—C13B	−0.1 (5)
C8A—C9A—C14A—C13A	179.4 (3)	C8B—C9B—C14B—C13B	−179.1 (3)
C9A—C14A—C13A—C12A	−0.8 (5)	C9B—C14B—C13B—C12B	0.1 (5)
C14A—C13A—C12A—C11A	0.3 (6)	C14B—C13B—C12B—C11B	0.3 (5)
C13A—C12A—C11A—C10A	0.2 (5)	C13B—C12B—C11B—C10B	−0.6 (5)
C12A—C11A—C10A—C9A	−0.2 (5)	C12B—C11B—C10B—C9B	0.6 (5)
C14A—C9A—C10A—C11A	−0.3 (5)	C14B—C9B—C10B—C11B	−0.2 (5)
C8A—C9A—C10A—C11A	−179.0 (3)	C8B—C9B—C10B—C11B	178.8 (3)
N1A—C8A—N2A—N3A	−0.5 (3)	N1B—C8B—N2B—N3B	0.3 (3)
C9A—C8A—N2A—N3A	178.2 (3)	C9B—C8B—N2B—N3B	−178.5 (3)
N1A—C8A—N2A—C15A	−176.1 (3)	N1B—C8B—N2B—C15B	175.6 (3)
C9A—C8A—N2A—C15A	2.6 (5)	C9B—C8B—N2B—C15B	−3.2 (5)
N2A—C8A—N1A—C7A	0.7 (3)	N2B—C8B—N1B—C7B	−0.1 (3)
C9A—C8A—N1A—C7A	−178.1 (3)	C9B—C8B—N1B—C7B	178.8 (3)
N3A—C7A—N1A—C8A	−0.6 (3)	N3B—C7B—N1B—C8B	−0.1 (3)
C1A—C7A—N1A—C8A	177.6 (3)	C1B—C7B—N1B—C8B	−178.9 (3)
N1A—C7A—N3A—N2A	0.3 (3)	N1B—C7B—N3B—N2B	0.3 (3)
C1A—C7A—N3A—N2A	−177.9 (2)	C1B—C7B—N3B—N2B	179.1 (2)
C8A—N2A—N3A—C7A	0.1 (3)	C8B—N2B—N3B—C7B	−0.4 (3)
C15A—N2A—N3A—C7A	176.3 (2)	C15B—N2B—N3B—C7B	−176.3 (2)