N,N′-Di-2-pyridyl­peryl­ene-3,4:9,10-bis­(dicarbox­imide)

Mizuguchi, J.; Hino, K.; Sato, K.; Takahashi, H.; Suzuki, S.

doi:10.1107/S160053680500200X

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N,N'-Di-2-pyridylperylene-3,4:9,10-bis(dicarboximide)

J. Mizuguchi, K. Hino, K. Sato, H. Takahashi and S. Suzuki

The title compound, C₃₄H₁₆N₄O₄, is a perylene-imide pigment utilized for H₂ gas sensors. There are two independent half- molecules in the asymmetric unit. The symmetry of both molecules is C_i. The angles between the each of the pyridyl rings and the perylene-imide skeleton are 77.7 (1) and 72.8 (1) in the two molecules. The independent molecules are stacked alternately along the b axis.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680500200X/bt6589sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S160053680500200X/bt6589Isup2.hkl Contains datablock I

CCDC reference: 264076

checkCIF report

Key indicators

Single-crystal X-ray study
T = 93 K
Mean (C-C) = 0.006 Å
R factor = 0.062
wR factor = 0.045
Data-to-parameter ratio = 11.1

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.94
PLAT230_ALERT_2_B Hirshfeld Test Diff for    O2     -   C11     ..       7.05 su
PLAT230_ALERT_2_B Hirshfeld Test Diff for    O3     -   C18     ..       8.81 su

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           68.22
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               4219
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         4468
           Completeness (_total/calc)             94.43%
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low ....       0.94
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.89 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N3     -   C28     ..       5.83 su
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C33    -   C34     ..       6.16 su
PLAT333_ALERT_2_C Large Average Benzene C-C Dist.  C5     -C7_a          1.45 Ang.
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          6
PLAT432_ALERT_2_C Short Inter X...Y Contact  O3     ..  C21     ..       3.00 Ang.

   0 ALERT level A = In general: serious problem
   3 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
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 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: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO; data reduction: TEXSAN (Molecular Structure Corporation, 2001); program(s) used to solve structure: SHELXS86 (Sheldrick, 1985); program(s) used to refine structure: TEXSAN; molecular graphics: ORTEPIII (Burnett & Johnson, 1996); software used to prepare material for publication: TEXSAN.

(I) top

Crystal data top

C₃₄H₁₆N₄O₄	F(000) = 1120
M_r = 544.51	D_x = 1.485 Mg m⁻³
Monoclinic, P2₁/c	Cu Kα radiation, λ = 1.5418 Å
Hall symbol: -P 2ybc	Cell parameters from 12013 reflections
a = 17.599 (1) Å	θ = 3.6–65.6°
b = 7.1705 (5) Å	µ = 0.82 mm⁻¹
c = 20.679 (2) Å	T = 93 K
β = 111.004 (5)°	Needle, red
V = 2436.2 (3) Å³	0.50 × 0.09 × 0.05 mm
Z = 4

Data collection top

Rigaku R-AXIS RAPID Imaging Plate diffractometer	2120 reflections with F² > 2σ(F²)
Detector resolution: 10.00 pixels mm^-1	R_int = 0.051
48 frames, δ ω = 15° scans	θ_max = 68.2°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −21→21
T_min = 0.960, T_max = 0.960	k = −7→7
20469 measured reflections	l = −24→24
4219 independent reflections

Refinement top

Refinement on F²	H-atom parameters not refined
R[F² > 2σ(F²)] = 0.062	w = 1/[σ²(F_o²)]
wR(F²) = 0.045	(Δ/σ)_max = 0.001
S = 1.89	Δρ_max = 0.47 e Å⁻³
4219 reflections	Δρ_min = −0.49 e Å⁻³
379 parameters

Special details top

Refinement. Refinement using reflections with F² > -10.0 σ(F²). The weighted R-factor (wR) and goodness of fit (S) are based on F². R-factor (gt) are based on F. The threshold expression of F² > 2.0 σ(F²) is used only for calculating R-factor (gt).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
O1	0.2880 (2)	0.1564 (4)	0.4416 (1)	0.0259 (10)
O2	0.3574 (1)	0.3222 (4)	0.6696 (1)	0.0295 (10)
O3	0.9012 (1)	0.2480 (4)	0.2422 (1)	0.0241 (9)
O4	0.6957 (2)	0.1657 (4)	0.0344 (1)	0.0230 (9)
N1	0.3207 (2)	0.2365 (5)	0.5563 (2)	0.023 (1)
N2	0.4140 (2)	−0.0115 (5)	0.5992 (2)	0.034 (1)
N3	0.7966 (2)	0.2245 (5)	0.1398 (2)	0.019 (1)
N4	0.7213 (2)	0.3008 (5)	0.2090 (2)	0.027 (1)
C1	0.2669 (2)	0.2259 (6)	0.4862 (2)	0.023 (1)
C2	0.1840 (2)	0.3051 (6)	0.4727 (2)	0.018 (1)
C3	0.1282 (2)	0.3017 (5)	0.4056 (2)	0.022 (1)
C4	0.0499 (2)	0.3684 (6)	0.3907 (2)	0.023 (1)
C5	0.0241 (3)	0.4328 (5)	0.4434 (2)	0.019 (1)
C6	0.0809 (2)	0.4352 (6)	0.5142 (2)	0.018 (1)
C7	0.0590 (2)	0.4989 (6)	0.5711 (2)	0.019 (1)
C8	0.1163 (2)	0.4929 (6)	0.6383 (2)	0.025 (1)
C9	0.1951 (2)	0.4305 (6)	0.6507 (2)	0.022 (1)
C10	0.2184 (2)	0.3727 (6)	0.5969 (2)	0.022 (1)
C11	0.3046 (3)	0.3131 (6)	0.6133 (2)	0.025 (2)
C12	0.1618 (2)	0.3698 (6)	0.5282 (2)	0.016 (1)
C13	0.4020 (3)	0.1574 (7)	0.5708 (2)	0.026 (2)
C14	0.4591 (3)	0.2652 (6)	0.5549 (2)	0.036 (2)
C15	0.5359 (3)	0.1830 (7)	0.5690 (2)	0.046 (2)
C16	0.5491 (3)	0.0043 (7)	0.5966 (2)	0.045 (2)
C17	0.4882 (3)	−0.0852 (7)	0.6119 (2)	0.044 (2)
C18	0.8767 (2)	0.2703 (6)	0.1808 (2)	0.024 (1)
C19	0.9293 (2)	0.3382 (5)	0.1420 (2)	0.018 (1)
C20	1.0083 (2)	0.3879 (6)	0.1800 (2)	0.023 (1)
C21	1.0591 (2)	0.4563 (6)	0.1466 (2)	0.023 (1)
C22	1.0316 (2)	0.4774 (6)	0.0751 (2)	0.019 (1)
C23	0.9493 (2)	0.4273 (6)	0.0344 (2)	0.015 (1)
C24	0.9160 (2)	0.4473 (6)	−0.0391 (2)	0.020 (1)
C25	0.8353 (2)	0.3981 (6)	−0.0754 (2)	0.021 (1)
C26	0.7862 (2)	0.3261 (6)	−0.0416 (2)	0.020 (1)
C27	0.8166 (2)	0.3063 (6)	0.0303 (2)	0.018 (1)
C28	0.7634 (2)	0.2274 (6)	0.0655 (2)	0.026 (1)
C29	0.8981 (2)	0.3572 (6)	0.0696 (2)	0.019 (1)
C30	0.7444 (2)	0.1650 (7)	0.1759 (2)	0.026 (1)
C31	0.7211 (2)	−0.0201 (6)	0.1753 (2)	0.025 (1)
C32	0.6731 (3)	−0.0695 (6)	0.2125 (2)	0.035 (2)
C33	0.6483 (3)	0.0681 (7)	0.2479 (2)	0.032 (2)
C34	0.6737 (3)	0.2493 (7)	0.2448 (2)	0.032 (2)
H1	0.1438	0.2532	0.3694	0.0263*
H2	0.0132	0.3704	0.3441	0.0277*
H3	0.1013	0.5318	0.6760	0.0300*
H4	0.2334	0.4277	0.6967	0.0262*
H5	0.4468	0.3868	0.5357	0.0433*
H6	0.5779	0.2484	0.5598	0.0554*
H7	0.5998	−0.0560	0.6049	0.0543*
H8	0.4993	−0.2054	0.6324	0.0531*
H9	1.0283	0.3757	0.2290	0.0282*
H10	1.1137	0.4890	0.1735	0.0272*
H11	0.8134	0.4141	−0.1243	0.0249*
H12	0.7317	0.2903	−0.0675	0.0235*
H13	0.7380	−0.1108	0.1497	0.0300*
H14	0.6573	−0.1956	0.2140	0.0415*
H15	0.6147	0.0385	0.2736	0.0379*
H16	0.6568	0.3430	0.2691	0.0387*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
O1	0.025 (2)	0.027 (2)	0.026 (2)	0.003 (2)	0.009 (1)	−0.001 (2)
O2	0.020 (2)	0.042 (2)	0.022 (2)	0.001 (2)	0.002 (1)	−0.002 (2)
O3	0.031 (2)	0.026 (2)	0.011 (2)	−0.000 (2)	0.003 (1)	0.003 (2)
O4	0.019 (2)	0.022 (2)	0.027 (2)	−0.002 (2)	0.007 (1)	−0.003 (2)
N1	0.014 (2)	0.024 (3)	0.030 (2)	0.000 (2)	0.008 (2)	0.002 (2)
N2	0.020 (2)	0.039 (3)	0.036 (3)	0.008 (2)	0.001 (2)	0.000 (2)
N3	0.022 (2)	0.022 (2)	0.014 (2)	0.005 (2)	0.008 (2)	0.004 (2)
N4	0.027 (2)	0.032 (3)	0.026 (2)	−0.001 (2)	0.012 (2)	−0.005 (2)
C1	0.025 (3)	0.018 (3)	0.025 (3)	−0.007 (2)	0.007 (2)	0.004 (2)
C2	0.017 (2)	0.015 (3)	0.022 (3)	−0.000 (2)	0.006 (2)	0.003 (2)
C3	0.035 (3)	0.013 (3)	0.020 (3)	−0.006 (2)	0.012 (2)	−0.000 (2)
C4	0.026 (3)	0.021 (3)	0.022 (3)	−0.010 (2)	0.008 (2)	−0.002 (2)
C5	0.027 (3)	0.006 (3)	0.021 (3)	0.001 (2)	0.007 (2)	0.006 (2)
C6	0.015 (2)	0.010 (3)	0.026 (3)	−0.002 (2)	0.006 (2)	0.005 (2)
C7	0.017 (2)	0.015 (3)	0.025 (3)	−0.002 (2)	0.008 (2)	0.002 (2)
C8	0.025 (3)	0.022 (3)	0.025 (3)	−0.004 (2)	0.005 (2)	0.001 (2)
C9	0.024 (3)	0.022 (3)	0.016 (3)	−0.002 (2)	0.002 (2)	−0.003 (2)
C10	0.022 (3)	0.019 (3)	0.023 (3)	−0.004 (2)	0.008 (2)	0.003 (2)
C11	0.028 (3)	0.016 (3)	0.040 (3)	−0.001 (2)	0.022 (2)	0.005 (3)
C12	0.016 (2)	0.017 (3)	0.013 (2)	−0.003 (2)	0.003 (2)	0.001 (2)
C13	0.013 (3)	0.043 (4)	0.022 (3)	−0.002 (3)	0.006 (2)	−0.008 (3)
C14	0.029 (3)	0.038 (4)	0.038 (3)	0.007 (3)	0.009 (2)	0.010 (3)
C15	0.015 (3)	0.087 (5)	0.034 (3)	−0.009 (3)	0.006 (2)	−0.006 (3)
C16	0.024 (3)	0.071 (5)	0.042 (4)	0.015 (3)	0.012 (3)	−0.009 (3)
C17	0.032 (3)	0.044 (4)	0.054 (4)	0.007 (3)	0.012 (3)	0.001 (3)
C18	0.021 (3)	0.015 (3)	0.042 (3)	0.001 (2)	0.017 (2)	−0.003 (3)
C19	0.023 (3)	0.013 (3)	0.020 (3)	0.001 (2)	0.010 (2)	−0.001 (2)
C20	0.021 (3)	0.024 (3)	0.024 (3)	0.002 (2)	0.006 (2)	−0.006 (2)
C21	0.017 (3)	0.025 (3)	0.024 (3)	0.003 (2)	0.006 (2)	−0.006 (3)
C22	0.019 (3)	0.017 (3)	0.023 (3)	0.005 (2)	0.011 (2)	−0.003 (2)
C23	0.016 (2)	0.011 (3)	0.018 (3)	0.002 (2)	0.007 (2)	−0.002 (2)
C24	0.027 (3)	0.009 (3)	0.027 (3)	0.006 (2)	0.012 (2)	−0.003 (2)
C25	0.022 (3)	0.015 (3)	0.027 (3)	0.001 (2)	0.011 (2)	−0.001 (2)
C26	0.019 (3)	0.015 (3)	0.023 (3)	0.002 (2)	0.006 (2)	−0.003 (2)
C27	0.021 (3)	0.014 (3)	0.022 (3)	0.006 (2)	0.012 (2)	−0.002 (2)
C28	0.023 (3)	0.021 (3)	0.035 (3)	0.011 (3)	0.012 (2)	−0.002 (3)
C29	0.021 (3)	0.013 (3)	0.021 (3)	0.006 (2)	0.006 (2)	−0.005 (2)
C30	0.017 (3)	0.047 (4)	0.015 (3)	−0.004 (3)	0.008 (2)	−0.000 (3)
C31	0.031 (3)	0.028 (3)	0.016 (3)	−0.005 (2)	0.008 (2)	−0.008 (2)
C32	0.032 (3)	0.043 (4)	0.020 (3)	−0.005 (3)	−0.000 (2)	0.001 (3)
C33	0.028 (3)	0.036 (3)	0.031 (3)	−0.009 (3)	0.012 (2)	0.005 (3)
C34	0.026 (3)	0.053 (4)	0.022 (3)	0.006 (3)	0.014 (2)	−0.005 (3)

Geometric parameters (Å, º) top

O1—C1	1.217 (4)	C14—C15	1.406 (5)
O2—C11	1.202 (4)	C14—H5	0.950
O3—C18	1.196 (4)	C15—C16	1.388 (6)
O4—C28	1.217 (4)	C15—H6	0.950
N1—C1	1.422 (4)	C16—C17	1.380 (6)
N1—C11	1.418 (4)	C16—H7	0.950
N1—C13	1.467 (4)	C17—H8	0.950
N2—C13	1.329 (5)	C18—C19	1.506 (5)
N2—C17	1.345 (5)	C19—C20	1.377 (5)
N3—C18	1.399 (4)	C19—C29	1.405 (4)
N3—C28	1.434 (4)	C20—C21	1.401 (5)
N3—C30	1.441 (4)	C20—H9	0.950
N4—C30	1.334 (5)	C21—C22	1.390 (4)
N4—C34	1.352 (4)	C21—H10	0.950
C1—C2	1.496 (5)	C22—C23	1.435 (5)
C2—C3	1.382 (4)	C22—C24ⁱⁱ	1.480 (5)
C2—C12	1.417 (4)	C23—C24	1.427 (4)
C3—C4	1.385 (5)	C23—C29	1.437 (5)
C3—H1	0.950	C24—C25	1.393 (5)
C4—C5	1.401 (5)	C25—C26	1.393 (5)
C4—H2	0.950	C25—H11	0.950
C5—C6	1.447 (4)	C26—C27	1.395 (4)
C5—C7ⁱ	1.468 (5)	C26—H12	0.950
C6—C7	1.437 (5)	C27—C28	1.487 (5)
C6—C12	1.427 (5)	C27—C29	1.420 (5)
C7—C8	1.394 (4)	C30—C31	1.388 (5)
C8—C9	1.392 (5)	C31—C32	1.378 (5)
C8—H3	0.950	C31—H13	0.950
C9—C10	1.378 (5)	C32—C33	1.389 (5)
C9—H4	0.950	C32—H14	0.950
C10—C11	1.494 (5)	C33—C34	1.383 (6)
C10—C12	1.414 (4)	C33—H15	0.950
C13—C14	1.398 (5)	C34—H16	0.950

O1···C28ⁱⁱⁱ	3.196 (5)	C3···C23ⁱⁱⁱ	3.439 (6)
O1···C27ⁱⁱⁱ	3.285 (5)	C3···C19ⁱⁱⁱ	3.511 (6)
O1···C31^iv	3.312 (5)	C3···C28^iv	3.534 (6)
O1···C16^v	3.434 (5)	C4···C22ⁱⁱⁱ	3.338 (6)
O1···O4ⁱⁱⁱ	3.551 (4)	C4···C21ⁱⁱⁱ	3.457 (5)
O1···N3ⁱⁱⁱ	3.584 (4)	C4···C19^iv	3.481 (6)
O2···C32^v	3.233 (5)	C4···C23ⁱⁱⁱ	3.520 (6)
O2···C33^v	3.298 (5)	C5···C29^iv	3.387 (5)
O3···C21^vi	3.000 (4)	C5···C22ⁱⁱⁱ	3.391 (5)
O3···C20^vi	3.155 (5)	C5···C24^x	3.416 (6)
O3···C8^vii	3.194 (5)	C5···C23^iv	3.584 (6)
O3···C4^viii	3.357 (4)	C6···C22^x	3.446 (6)
O4···C1ⁱⁱⁱ	3.280 (5)	C6···C27^iv	3.519 (5)
O4···C15^ix	3.322 (5)	C6···C24ⁱⁱⁱ	3.534 (6)
O4···C2ⁱⁱⁱ	3.378 (5)	C6···C26^iv	3.565 (6)
O4···N1ⁱⁱⁱ	3.562 (4)	C6···C29^iv	3.571 (5)
O4···N2^iv	3.591 (4)	C7···C24^iv	3.343 (6)
N1···C26ⁱⁱⁱ	3.447 (5)	C7···C25^iv	3.397 (6)
N2···C26ⁱⁱⁱ	3.490 (5)	C7···C22^x	3.455 (6)
N3···C3ⁱⁱⁱ	3.566 (5)	C7···C23^x	3.548 (6)
N4···C9^vii	3.352 (5)	C8···C21^x	3.397 (5)
N4···C16^ix	3.389 (6)	C8···C25^iv	3.414 (6)
N4···C15^ix	3.502 (5)	C9···C34^vii	3.420 (6)
C1···C27ⁱⁱⁱ	3.312 (6)	C10···C26^iv	3.438 (6)
C1···C26ⁱⁱⁱ	3.342 (6)	C10···C25ⁱⁱⁱ	3.517 (6)
C2···C28^iv	3.342 (6)	C12···C24ⁱⁱⁱ	3.365 (6)
C2···C29ⁱⁱⁱ	3.502 (6)	C12···C26^iv	3.382 (6)
C2···C23ⁱⁱⁱ	3.553 (6)	C12···C27^iv	3.425 (6)
C2···C27ⁱⁱⁱ	3.578 (6)	C12···C25ⁱⁱⁱ	3.516 (6)
C2···C27^iv	3.594 (6)	C15···C16^v	3.478 (5)
C3···C29ⁱⁱⁱ	3.288 (5)	C16···C34^xi	3.536 (7)

C1—N1—C11	127.6 (4)	C17—C16—H7	120.2
C1—N1—C13	115.6 (4)	N2—C17—C16	123.6 (5)
C11—N1—C13	116.8 (3)	N2—C17—H8	118.2
C13—N2—C17	115.7 (4)	C16—C17—H8	118.2
C18—N3—C28	125.5 (4)	O3—C18—N3	120.9 (4)
C18—N3—C30	116.6 (3)	O3—C18—C19	123.5 (4)
C28—N3—C30	118.0 (3)	N3—C18—C19	115.5 (4)
C30—N4—C34	116.3 (4)	C18—C19—C20	117.8 (4)
O1—C1—N1	121.5 (4)	C18—C19—C29	121.3 (4)
O1—C1—C2	123.8 (4)	C20—C19—C29	120.9 (4)
N1—C1—C2	114.8 (4)	C19—C20—C21	120.1 (4)
C1—C2—C3	118.3 (4)	C19—C20—H9	120.0
C1—C2—C12	120.5 (4)	C21—C20—H9	120.0
C3—C2—C12	121.1 (4)	C20—C21—C22	121.5 (4)
C2—C3—C4	120.6 (4)	C20—C21—H10	119.3
C2—C3—H1	119.7	C22—C21—H10	119.3
C4—C3—H1	119.7	C21—C22—C23	119.4 (4)
C3—C4—C5	121.0 (4)	C21—C22—C24ⁱⁱ	122.2 (4)
C3—C4—H2	119.5	C23—C22—C24ⁱⁱ	118.4 (4)
C5—C4—H2	119.5	C22—C23—C24	122.9 (4)
C4—C5—C6	119.5 (4)	C22—C23—C29	118.3 (4)
C4—C5—C7ⁱ	121.9 (4)	C24—C23—C29	118.8 (4)
C6—C5—C7ⁱ	118.6 (4)	C22ⁱⁱ—C24—C23	118.7 (4)
C5—C6—C7	122.8 (4)	C22ⁱⁱ—C24—C25	121.4 (4)
C5—C6—C12	118.5 (4)	C23—C24—C25	119.9 (4)
C7—C6—C12	118.6 (4)	C24—C25—C26	121.3 (4)
C5ⁱ—C7—C6	118.6 (4)	C24—C25—H11	119.3
C5ⁱ—C7—C8	121.7 (4)	C26—C25—H11	119.3
C6—C7—C8	119.8 (4)	C25—C26—C27	120.2 (4)
C7—C8—C9	120.7 (4)	C25—C26—H12	119.9
C7—C8—H3	119.7	C27—C26—H12	119.9
C9—C8—H3	119.7	C26—C27—C28	119.5 (4)
C8—C9—C10	120.9 (4)	C26—C27—C29	120.4 (4)
C8—C9—H4	119.5	C28—C27—C29	120.1 (4)
C10—C9—H4	119.5	O4—C28—N3	120.4 (4)
C9—C10—C11	118.4 (4)	O4—C28—C27	123.3 (4)
C9—C10—C12	120.5 (4)	N3—C28—C27	116.3 (4)
C11—C10—C12	121.1 (4)	C19—C29—C23	119.8 (4)
O2—C11—N1	120.7 (4)	C19—C29—C27	120.8 (4)
O2—C11—C10	125.0 (4)	C23—C29—C27	119.3 (4)
N1—C11—C10	114.3 (4)	N3—C30—N4	114.7 (4)
C2—C12—C6	119.2 (4)	N3—C30—C31	121.2 (4)
C2—C12—C10	121.3 (4)	N4—C30—C31	124.1 (4)
C6—C12—C10	119.4 (4)	C30—C31—C32	118.6 (4)
N1—C13—N2	115.6 (4)	C30—C31—H13	120.7
N1—C13—C14	118.0 (4)	C32—C31—H13	120.7
N2—C13—C14	126.4 (4)	C31—C32—C33	118.9 (4)
C13—C14—C15	116.0 (4)	C31—C32—H14	120.5
C13—C14—H5	122.0	C33—C32—H14	120.5
C15—C14—H5	122.0	C32—C33—C34	118.3 (4)
C14—C15—C16	118.6 (5)	C32—C33—H15	120.9
C14—C15—H6	120.7	C34—C33—H15	120.9
C16—C15—H6	120.7	N4—C34—C33	123.8 (4)
C15—C16—C17	119.6 (5)	N4—C34—H16	118.1
C15—C16—H7	120.2	C33—C34—H16	118.1

Symmetry codes: (i) −x, −y+1, −z+1; (ii) −x+2, −y+1, −z; (iii) −x+1, y−1/2, −z+1/2; (iv) −x+1, y+1/2, −z+1/2; (v) −x+1, −y, −z+1; (vi) −x+2, y−1/2, −z+1/2; (vii) −x+1, −y+1, −z+1; (viii) x+1, y, z; (ix) x, −y+1/2, z−1/2; (x) x−1, −y+1/2, z+1/2; (xi) x, −y+1/2, z+1/2.

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