Tris(1-li­thio-4,7-di­methyl-1,4,7-tri­aza­cyclo­nonane)

The title compound, [Li(Me₂[9]­aneN₃)]₃ or [Li₃(C₈H₁₈N₃)₃], (I), possesses a trimeric structure featuring four-coordinate N and Li atoms. Each of the Li atoms is bonded to the two amino N atoms and one amido N atom of one macrocycle, and to a further amido N atom of a second macrocycle. The central `core' is an essentially planar Li₃N₃ ring.

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean [sigma](C-C) = 0.003 Å
• R factor = 0.058
• wR factor = 0.071
• Data-to-parameter ratio = 19.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

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Computing details

Data collection: COLLECT (Nonius, 2000); cell refinement: DENZO; data reduction: DENZO (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: CRYSTALS (Watkin et al., 2001); molecular graphics: CAMERON (Watkin et al., 1996); software used to prepare material for publication: CRYSTALS.

Tris(1-lithio-4,7-dimethyl-1,4,7-triazacyclononane)

Crystal data

[Li3(C8H18N3)3]	F(000) = 1080.248
Mr = 489.58	Dx = 1.075 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 11.8682 (2) Å	Cell parameters from 6459 reflections
b = 11.8465 (3) Å	θ = 2.9–27.5°
c = 22.1205 (4) Å	µ = 0.07 mm^−1
β = 103.374 (2)°	T = 150 K
V = 3025.7 (1) Å^3	Block, colourless
Z = 4	0.42 × 0.32 × 0.26 mm

Data collection

Enraf Nonius Kappa CCD diffractometer	4174 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.029
φ and ω scans	θmax = 27.5°, θmin = 3.3°
Absorption correction: multi-scan (DENZO; Otwinowski & Minor, 1997)	h = −15→15
Tmin = 0.979, Tmax = 0.983	k = −15→13
11636 measured reflections	l = −28→28
6922 independent reflections

Refinement

Refinement on F	Hydrogen site location: geometric
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.058	Chebyshev polynomial with coefficients 1.30, 1.35, 0.971, 0.203 (CRYSTALS; Watkin et al., 2001)
wR(F^2) = 0.071	(Δ/σ)max = 0.025
S = 1.03	Δρmax = 0.44 e Å^−3
6275 reflections	Δρmin = −0.37 e Å^−3
326 parameters	Extinction correction: Larson (1967)
0 restraints	Extinction coefficient: 79 (18)
Primary atom site location: direct methods

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Li1	0.7455 (3)	0.4257 (3)	0.66757 (14)	0.0305
Li2	0.8115 (3)	0.3248 (3)	0.54923 (13)	0.0294
Li3	0.6191 (3)	0.2097 (3)	0.60585 (14)	0.0321
N3	0.90328 (14)	0.44360 (14)	0.74110 (7)	0.0354
N6	0.73043 (14)	0.60456 (13)	0.67755 (7)	0.0322
N9	0.84399 (13)	0.45616 (13)	0.60555 (7)	0.0311
N23	0.78724 (14)	0.34421 (14)	0.45083 (7)	0.0330
N26	0.94079 (13)	0.19907 (14)	0.53911 (7)	0.0324
N29	0.69156 (13)	0.19994 (14)	0.53346 (7)	0.0316
N33	0.43587 (13)	0.18975 (13)	0.59297 (7)	0.0327
N36	0.63032 (14)	0.07785 (14)	0.67588 (7)	0.0357
N39	0.61641 (13)	0.32455 (13)	0.67423 (7)	0.0320
C1	0.96370 (16)	0.46578 (17)	0.6407 (1)	0.0365
C2	0.98434 (17)	0.40731 (18)	0.7037 (1)	0.0390
C3	0.9198 (2)	0.3765 (2)	0.7980 (1)	0.0488
C4	0.91147 (19)	0.56525 (18)	0.7562 (1)	0.0425
C5	0.7938 (2)	0.62240 (18)	0.74197 (9)	0.0425
C6	0.61001 (18)	0.64333 (18)	0.66796 (11)	0.0423
C7	0.78649 (17)	0.65304 (16)	0.63072 (9)	0.0338
C8	0.79566 (17)	0.56368 (16)	0.58137 (9)	0.0328
C21	0.62227 (16)	0.23813 (18)	0.47364 (9)	0.0356
C22	0.69095 (17)	0.26742 (18)	0.42479 (9)	0.0367
C23	0.7622 (2)	0.45917 (18)	0.4287 (1)	0.0418
C24	0.89995 (18)	0.30744 (19)	0.44075 (9)	0.0386
C25	0.93911 (18)	0.19640 (18)	0.47190 (9)	0.0392
C26	1.06021 (18)	0.2077 (2)	0.57631 (11)	0.0444
C27	0.88087 (18)	0.10238 (16)	0.5601 (1)	0.0380
C28	0.75240 (18)	0.09539 (16)	0.52809 (9)	0.0363
C31	0.49917 (17)	0.36662 (17)	0.6517 (1)	0.0374
C32	0.40340 (17)	0.27553 (17)	0.6341 (1)	0.0376
C33	0.37029 (17)	0.2041 (2)	0.5287 (1)	0.0416
C34	0.42730 (18)	0.07276 (17)	0.6134 (1)	0.0392
C35	0.50931 (19)	0.04908 (18)	0.6759 (1)	0.0430
C36	0.6973 (2)	−0.02415 (19)	0.67185 (12)	0.0516
C37	0.6868 (2)	0.1474 (2)	0.72999 (9)	0.0445
C38	0.62923 (19)	0.26211 (19)	0.73209 (9)	0.0408
H11	0.98341	0.54758	0.6474	0.0441*
H12	1.01524	0.43069	0.6160	0.0441*
H21	1.06503	0.42442	0.7273	0.0452*
H22	0.97563	0.32405	0.6967	0.0452*
H31	0.8642	0.4022	0.8229	0.0560*
H32	1.0009	0.3864	0.8231	0.0560*
H33	0.9057	0.2950	0.7870	0.0560*
H41	0.94766	0.57432	0.8014	0.0489*
H42	0.96135	0.60244	0.7312	0.0489*
H51	0.8051	0.70532	0.74944	0.0509*
H52	0.7470	0.59111	0.77033	0.0509*
H61	0.56863	0.63027	0.62373	0.0515*
H62	0.60910	0.72574	0.67764	0.0515*
H63	0.57036	0.60042	0.69602	0.0515*
H71	0.86594	0.67957	0.65164	0.0406*
H72	0.73967	0.71839	0.61002	0.0406*
H81	0.84573	0.59525	0.55480	0.0396*
H82	0.71604	0.54987	0.55532	0.0396*
H211	0.57853	0.30695	0.48101	0.0418*
H212	0.56639	0.17663	0.45630	0.0418*
H221	0.72258	0.19648	0.41061	0.0440*
H222	0.63802	0.30485	0.38859	0.0440*
H231	0.8293	0.50897	0.4472	0.0505*
H232	0.6913	0.48694	0.4412	0.0505*
H233	0.7487	0.46063	0.3823	0.0505*
H241	0.95917	0.36631	0.45780	0.0486*
H242	0.89336	0.29919	0.39507	0.0486*
H251	1.01893	0.17944	0.46679	0.0488*
H252	0.88484	0.13570	0.45158	0.0488*
H261	1.05967	0.2092	0.62144	0.0527*
H262	1.09635	0.2786	0.56513	0.0527*
H263	1.10588	0.1411	0.56771	0.0527*
H271	0.88809	0.10964	0.6059	0.0458*
H272	0.91950	0.03120	0.5513	0.0458*
H281	0.71619	0.03310	0.54754	0.0445*
H282	0.74492	0.07850	0.48304	0.0445*
H311	0.48006	0.41517	0.6849	0.0458*
H312	0.49780	0.41341	0.6139	0.0458*
H321	0.39221	0.23813	0.6728	0.0467*
H322	0.32942	0.31240	0.6122	0.0467*
H331	0.39416	0.1448	0.5020	0.0500*
H332	0.38634	0.2805	0.5135	0.0500*
H333	0.28562	0.1966	0.5268	0.0500*
H341	0.34610	0.05848	0.6171	0.0473*
H342	0.44651	0.02069	0.5816	0.0473*
H351	0.48453	0.09480	0.7085	0.0514*
H352	0.50513	−0.03302	0.6856	0.0514*
H361	0.7789	−0.00295	0.67193	0.0608*
H362	0.6967	−0.07382	0.70834	0.0608*
H363	0.6621	−0.06548	0.63260	0.0608*
H371	0.6841	0.1052	0.76877	0.0520*
H372	0.7693	0.1600	0.72827	0.0520*
H381	0.67780	0.30760	0.76653	0.0493*
H382	0.55080	0.25012	0.74042	0.0493*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Li1	0.0332 (16)	0.0296 (15)	0.0272 (15)	−0.0042 (12)	0.0040 (12)	−0.0020 (12)
Li2	0.0301 (15)	0.0291 (15)	0.0290 (15)	0.0007 (12)	0.0069 (12)	−0.0009 (12)
Li3	0.0308 (15)	0.0333 (16)	0.0324 (15)	−0.0009 (13)	0.0076 (12)	0.0005 (13)
N3	0.0383 (9)	0.0340 (9)	0.0295 (8)	−0.0013 (7)	−0.0015 (6)	−0.0004 (7)
N6	0.0400 (9)	0.0259 (8)	0.0298 (8)	0.0010 (6)	0.0064 (6)	−0.0026 (6)
N9	0.0322 (8)	0.0295 (8)	0.0314 (8)	−0.0029 (6)	0.0073 (6)	−0.0011 (6)
N23	0.0366 (8)	0.0373 (9)	0.0261 (7)	0.0049 (7)	0.0096 (6)	0.0013 (6)
N26	0.0295 (8)	0.0320 (8)	0.0360 (8)	0.0038 (7)	0.0085 (6)	0.0019 (7)
N29	0.0328 (8)	0.0341 (8)	0.0277 (7)	−0.0024 (7)	0.0063 (6)	−0.0034 (6)
N33	0.0275 (8)	0.0312 (8)	0.0386 (8)	−0.0039 (6)	0.0062 (6)	0.0013 (7)
N36	0.0392 (9)	0.0310 (8)	0.0348 (8)	−0.0031 (7)	0.0043 (7)	0.0072 (7)
N39	0.0336 (8)	0.0330 (8)	0.0306 (8)	−0.0047 (7)	0.0099 (6)	−0.0012 (6)
C1	0.0306 (9)	0.034 (1)	0.0457 (11)	−0.0033 (8)	0.0111 (8)	−0.0038 (9)
C2	0.031 (1)	0.0355 (11)	0.0457 (11)	−0.0021 (8)	−0.0011 (8)	−0.0020 (9)
C3	0.0556 (13)	0.0526 (14)	0.031 (1)	−0.0033 (11)	−0.0045 (9)	0.0052 (9)
C4	0.0484 (12)	0.0413 (11)	0.032 (1)	−0.0051 (9)	−0.0029 (9)	−0.0105 (9)
C5	0.0564 (13)	0.0360 (11)	0.034 (1)	−0.002 (1)	0.0081 (9)	−0.0126 (9)
C6	0.0411 (11)	0.034 (1)	0.0534 (12)	0.0028 (9)	0.0151 (9)	−0.0025 (9)
C7	0.037 (1)	0.0273 (9)	0.037 (1)	−0.0021 (8)	0.0076 (8)	−0.0008 (8)
C8	0.036 (1)	0.032 (1)	0.0308 (9)	−0.0016 (8)	0.0098 (7)	0.0007 (8)
C21	0.0301 (9)	0.0437 (11)	0.0313 (9)	−0.0039 (8)	0.0039 (8)	−0.0050 (8)
C22	0.039 (1)	0.0454 (12)	0.0252 (9)	0.0022 (9)	0.0059 (8)	−0.0027 (8)
C23	0.0506 (12)	0.0419 (12)	0.034 (1)	0.009 (1)	0.0130 (9)	0.0074 (9)
C24	0.040 (1)	0.0466 (12)	0.034 (1)	0.0019 (9)	0.0168 (8)	0.0000 (9)
C25	0.038 (1)	0.0440 (11)	0.0394 (11)	0.0084 (9)	0.0162 (8)	−0.0040 (9)
C26	0.034 (1)	0.0455 (12)	0.0523 (13)	0.0077 (9)	0.0071 (9)	0.004 (1)
C27	0.0457 (11)	0.0273 (9)	0.0408 (11)	0.0054 (8)	0.0096 (9)	0.0025 (8)
C28	0.0452 (11)	0.029 (1)	0.035 (1)	−0.0053 (8)	0.0116 (8)	−0.0035 (8)
C31	0.0388 (11)	0.031 (1)	0.0454 (11)	−0.0037 (8)	0.0151 (9)	−0.0062 (8)
C32	0.031 (1)	0.0364 (11)	0.0485 (12)	−0.0037 (8)	0.0157 (8)	−0.0028 (9)
C33	0.032 (1)	0.0494 (12)	0.0419 (11)	−0.0033 (9)	0.0052 (8)	0.002 (1)
C34	0.037 (1)	0.033 (1)	0.0472 (12)	−0.0096 (8)	0.0084 (9)	0.0001 (9)
C35	0.0512 (12)	0.0336 (11)	0.0448 (11)	−0.0115 (9)	0.0122 (9)	0.0097 (9)
C36	0.0594 (14)	0.0380 (12)	0.0544 (14)	0.0052 (11)	0.0072 (11)	0.014 (1)
C37	0.0499 (12)	0.0502 (13)	0.029 (1)	−0.008 (1)	0.0009 (8)	0.0089 (9)
C38	0.0457 (12)	0.0484 (12)	0.028 (1)	−0.013 (1)	0.0088 (8)	−0.0052 (9)

Geometric parameters (Å, º)

Li1—N3	2.188 (3)	C6—H62	1.000
Li1—N6	2.142 (3)	C6—H63	1.000
Li1—N9	2.030 (3)	C7—C8	1.542 (3)
Li1—N39	1.977 (3)	C7—H71	1.000
Li2—N9	1.975 (3)	C7—H72	1.000
Li2—N23	2.141 (3)	C8—H81	1.000
Li2—N26	2.186 (3)	C8—H82	1.000
Li2—N29	2.026 (3)	C21—C22	1.536 (3)
Li3—N29	1.988 (3)	C21—H211	1.000
Li3—N33	2.140 (3)	C21—H212	1.000
Li3—N36	2.182 (4)	C22—H221	1.000
Li3—N39	2.040 (3)	C22—H222	1.000
N3—C2	1.471 (3)	C23—H231	1.000
N3—C3	1.464 (3)	C23—H232	1.000
N3—C4	1.477 (3)	C23—H233	1.000
N6—C5	1.465 (2)	C24—C25	1.508 (3)
N6—C6	1.469 (3)	C24—H241	1.000
N6—C7	1.471 (2)	C24—H242	1.000
N9—C1	1.457 (2)	C25—H251	1.000
N9—C8	1.448 (2)	C25—H252	1.000
N23—C22	1.470 (3)	C26—H261	1.000
N23—C23	1.455 (3)	C26—H262	1.000
N23—C24	1.472 (2)	C26—H263	1.000
N26—C25	1.482 (2)	C27—C28	1.528 (3)
N26—C26	1.469 (3)	C27—H271	1.000
N26—C27	1.479 (3)	C27—H272	1.000
N29—C21	1.459 (2)	C28—H281	1.000
N29—C28	1.452 (3)	C28—H282	1.000
N33—C32	1.474 (3)	C31—C32	1.550 (3)
N33—C33	1.464 (3)	C31—H311	1.000
N33—C34	1.469 (3)	C31—H312	1.000
N36—C35	1.476 (3)	C32—H321	1.000
N36—C36	1.460 (3)	C32—H322	1.000
N36—C37	1.480 (3)	C33—H331	1.000
N39—C31	1.453 (3)	C33—H332	1.000
N39—C38	1.456 (3)	C33—H333	1.000
C1—C2	1.525 (3)	C34—C35	1.521 (3)
C1—H11	1.000	C34—H341	1.000
C1—H12	1.000	C34—H342	1.000
C2—H21	1.000	C35—H351	1.000
C2—H22	1.000	C35—H352	1.000
C3—H31	1.000	C36—H361	1.000
C3—H32	1.000	C36—H362	1.000
C3—H33	1.000	C36—H363	1.000
C4—C5	1.518 (3)	C37—C38	1.526 (3)
C4—H41	1.000	C37—H371	1.000
C4—H42	1.000	C37—H372	1.000
C5—H51	1.000	C38—H381	1.000
C5—H52	1.000	C38—H382	1.000
C6—H61	1.000
N3—Li1—N6	84.54 (12)	N3—C4—H42	108.8
N3—Li1—N9	87.55 (13)	C5—C4—H42	108.9
N6—Li1—N9	88.20 (13)	H41—C4—H42	109.5
N3—Li1—N39	123.23 (16)	N6—C5—H51	108.8
N6—Li1—N39	120.49 (16)	C4—C5—H51	108.8
N9—Li1—N39	137.34 (17)	N6—C5—H52	108.8
N9—Li2—N23	121.16 (16)	C4—C5—H52	108.8
N9—Li2—N26	124.21 (15)	H51—C5—H52	109.5
N23—Li2—N26	84.36 (12)	N6—C6—H61	109.5
N9—Li2—N29	135.27 (17)	N6—C6—H62	109.4
N23—Li2—N29	88.82 (13)	H61—C6—H62	109.5
N26—Li2—N29	88.11 (13)	N6—C6—H63	109.5
N29—Li3—N33	120.11 (16)	H61—C6—H63	109.5
N29—Li3—N36	124.31 (17)	H62—C6—H63	109.5
N33—Li3—N36	84.76 (13)	N6—C7—H71	109.2
N29—Li3—N39	136.02 (18)	C8—C7—H71	109.3
N33—Li3—N39	89.00 (13)	N6—C7—H72	109.3
N36—Li3—N39	87.70 (13)	C8—C7—H72	109.3
Li1—N3—C2	96.45 (13)	H71—C7—H72	109.5
Li1—N3—C3	120.55 (16)	N9—C8—H81	107.9
C2—N3—C3	110.51 (17)	C7—C8—H81	107.9
Li1—N3—C4	105.22 (14)	N9—C8—H82	108.0
C2—N3—C4	113.24 (17)	C7—C8—H82	108.0
C3—N3—C4	110.30 (16)	H81—C8—H82	109.5
Li1—N6—C5	101.93 (14)	N29—C21—H211	108.1
Li1—N6—C6	113.32 (15)	C22—C21—H211	108.1
C5—N6—C6	111.02 (16)	N29—C21—H212	107.9
Li1—N6—C7	104.57 (14)	C22—C21—H212	107.9
C5—N6—C7	114.50 (16)	H211—C21—H212	109.5
C6—N6—C7	111.08 (15)	N23—C22—H221	109.2
Li1—N9—Li2	103.14 (14)	C21—C22—H221	109.2
Li1—N9—C1	107.27 (14)	N23—C22—H222	109.1
Li2—N9—C1	114.93 (15)	C21—C22—H222	109.0
Li1—N9—C8	99.51 (14)	H221—C22—H222	109.5
Li2—N9—C8	117.22 (14)	N23—C23—H231	109.4
C1—N9—C8	112.47 (15)	N23—C23—H232	109.5
Li2—N23—C22	103.98 (14)	H231—C23—H232	109.5
Li2—N23—C23	114.35 (15)	N23—C23—H233	109.5
C22—N23—C23	111.56 (16)	H231—C23—H233	109.5
Li2—N23—C24	102.06 (14)	H232—C23—H233	109.5
C22—N23—C24	114.13 (16)	N23—C24—H241	108.7
C23—N23—C24	110.37 (16)	C25—C24—H241	108.7
Li2—N26—C25	105.68 (13)	N23—C24—H242	108.7
Li2—N26—C26	120.29 (15)	C25—C24—H242	108.7
C25—N26—C26	110.54 (16)	H241—C24—H242	109.5
Li2—N26—C27	95.49 (13)	N26—C25—H251	108.9
C25—N26—C27	113.75 (16)	C24—C25—H251	108.9
C26—N26—C27	110.46 (16)	N26—C25—H252	108.9
Li2—N29—Li3	103.68 (14)	C24—C25—H252	108.9
Li2—N29—C21	98.98 (14)	H251—C25—H252	109.5
Li3—N29—C21	117.03 (15)	N26—C26—H261	109.4
Li2—N29—C28	107.08 (14)	N26—C26—H262	109.5
Li3—N29—C28	115.53 (15)	H261—C26—H262	109.5
C21—N29—C28	112.14 (15)	N26—C26—H263	109.5
Li3—N33—C32	104.15 (14)	H261—C26—H263	109.5
Li3—N33—C33	114.35 (15)	H262—C26—H263	109.5
C32—N33—C33	111.32 (16)	N26—C27—H271	108.5
Li3—N33—C34	101.76 (14)	C28—C27—H271	108.5
C32—N33—C34	114.46 (16)	N26—C27—H272	108.5
C33—N33—C34	110.42 (16)	C28—C27—H272	108.5
Li3—N36—C35	105.40 (14)	H271—C27—H272	109.5
Li3—N36—C36	119.58 (16)	N29—C28—H281	108.8
C35—N36—C36	110.62 (17)	C27—C28—H281	108.8
Li3—N36—C37	96.75 (14)	N29—C28—H282	108.7
C35—N36—C37	112.79 (17)	C27—C28—H282	108.8
C36—N36—C37	111.06 (17)	H281—C28—H282	109.5
Li1—N39—Li3	101.75 (14)	N39—C31—H311	107.9
Li1—N39—C31	117.61 (15)	C32—C31—H311	107.9
Li3—N39—C31	98.78 (14)	N39—C31—H312	107.8
Li1—N39—C38	116.64 (15)	C32—C31—H312	107.9
Li3—N39—C38	107.25 (15)	H311—C31—H312	109.5
C31—N39—C38	111.89 (15)	N33—C32—H321	109.2
N9—C1—C2	112.47 (16)	C31—C32—H321	109.2
N3—C2—C1	113.20 (16)	N33—C32—H322	109.1
N3—C4—C5	112.27 (17)	C31—C32—H322	109.2
N6—C5—C4	112.18 (16)	H321—C32—H322	109.5
N6—C7—C8	110.35 (15)	N33—C33—H331	109.5
N9—C8—C7	115.42 (15)	N33—C33—H332	109.4
N29—C21—C22	115.37 (16)	H331—C33—H332	109.5
N23—C22—C21	110.80 (15)	N33—C33—H333	109.5
N23—C24—C25	112.57 (16)	H331—C33—H333	109.5
N26—C25—C24	111.78 (16)	H332—C33—H333	109.5
N29—C28—C27	112.18 (15)	N33—C34—H341	108.7
N26—C27—C28	113.41 (16)	C35—C34—H341	108.7
N39—C31—C32	115.82 (16)	N33—C34—H342	108.8
N33—C32—C31	110.71 (15)	C35—C34—H342	108.8
N33—C34—C35	112.23 (16)	H341—C34—H342	109.5
N36—C35—C34	112.09 (16)	N36—C35—H351	108.9
N36—C37—C38	113.49 (17)	C34—C35—H351	108.9
N39—C38—C37	112.47 (16)	N36—C35—H352	108.7
N9—C1—H11	108.7	C34—C35—H352	108.8
C2—C1—H11	108.7	H351—C35—H352	109.5
N9—C1—H12	108.7	N36—C36—H361	109.4
C2—C1—H12	108.8	N36—C36—H362	109.4
H11—C1—H12	109.5	H361—C36—H362	109.5
N3—C2—H21	108.6	N36—C36—H363	109.6
C1—C2—H21	108.6	H361—C36—H363	109.5
N3—C2—H22	108.5	H362—C36—H363	109.5
C1—C2—H22	108.5	N36—C37—H371	108.5
H21—C2—H22	109.5	C38—C37—H371	108.4
N3—C3—H31	109.5	N36—C37—H372	108.4
N3—C3—H32	109.5	C38—C37—H372	108.5
H31—C3—H32	109.5	H371—C37—H372	109.5
N3—C3—H33	109.4	N39—C38—H381	108.7
H31—C3—H33	109.5	C37—C38—H381	108.7
H32—C3—H33	109.5	N39—C38—H382	108.8
N3—C4—H41	108.8	C37—C38—H382	108.7
C5—C4—H41	108.7	H381—C38—H382	109.5