Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806050112/dn2095sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806050112/dn2095Isup2.hkl |
CCDC reference: 629654
Data collection: COLLECT (Nonius, 1998); cell refinement: DENZO (Otwinowski & Minor, 1997); data reduction: DENZO; 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: XP (Siemens, 1990).
C26H47N5 | F(000) = 952 |
Mr = 429.69 | Dx = 1.064 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 3452 reflections |
a = 11.5558 (4) Å | θ = 2.6–27.5° |
b = 17.9911 (9) Å | µ = 0.06 mm−1 |
c = 12.9268 (6) Å | T = 183 K |
β = 93.201 (3)° | Prism, colourless |
V = 2683.3 (2) Å3 | 0.04 × 0.04 × 0.04 mm |
Z = 4 |
Nonius KappaCCD diffractometer | 3452 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.078 |
Graphite monochromator | θmax = 27.5°, θmin = 2.6° |
φ an ω scans | h = −14→15 |
17978 measured reflections | k = −23→22 |
6112 independent reflections | l = −16→16 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.057 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.137 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.01 | w = 1/[σ2(Fo2) + (0.0557P)2 + 0.3727P] where P = (Fo2 + 2Fc2)/3 |
6112 reflections | (Δ/σ)max = 0.003 |
298 parameters | Δρmax = 0.21 e Å−3 |
1 restraint | Δρmin = −0.23 e Å−3 |
Experimental. IR (KBr, 298 K) [cm-1]: 3273 (m), 2967 (s), 2927 (s), 2868 (m), 1638 (s), 1591 (s), 1449 (m), 1388 (m), 1360 (s), 1260 (s), 1208 (s), 1185 (m); MS (DEI) [m/z (%)]: 429 (3, M+), 373 (2, MH+ - C4H9), 316 (4, MH+ - 2 C4H9), 260 (6, MH2+ - 3 C4H9), 204 (5, MH3+ - 4 C4H9), 148 (11 MH4+ - 5 C4H9). |
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. |
x | y | z | Uiso*/Ueq | ||
N2 | 0.27736 (11) | 0.06768 (8) | 0.20082 (11) | 0.0236 (4) | |
N1 | 0.12011 (11) | −0.01261 (8) | 0.17137 (11) | 0.0258 (4) | |
N5 | 0.52851 (11) | −0.02594 (8) | 0.29680 (11) | 0.0225 (3) | |
N4 | 0.68003 (12) | 0.05591 (9) | 0.33964 (11) | 0.0287 (4) | |
N3 | 0.52880 (13) | 0.15913 (8) | 0.17758 (12) | 0.0259 (4) | |
H31 | 0.5865 (11) | 0.1803 (10) | 0.2061 (13) | 0.031* | |
C4 | 0.58173 (14) | 0.04643 (10) | 0.29281 (13) | 0.0227 (4) | |
C5 | 0.41306 (14) | −0.01727 (10) | 0.26645 (12) | 0.0210 (4) | |
C2 | 0.39326 (13) | 0.05947 (10) | 0.23374 (13) | 0.0204 (4) | |
C3 | 0.49630 (14) | 0.09544 (9) | 0.23354 (13) | 0.0213 (4) | |
C1 | 0.22489 (14) | −0.00512 (10) | 0.20483 (13) | 0.0234 (4) | |
C7 | 0.05480 (14) | −0.08305 (10) | 0.16988 (14) | 0.0258 (4) | |
C11 | 0.20459 (15) | 0.13493 (10) | 0.22253 (15) | 0.0300 (5) | |
C6 | 0.31381 (13) | −0.05622 (10) | 0.24809 (13) | 0.0235 (4) | |
H6 | 0.3038 | −0.1066 | 0.2607 | 0.028* | |
C23 | 0.58424 (14) | −0.09205 (10) | 0.34880 (14) | 0.0249 (4) | |
C10 | 0.10545 (15) | −0.13795 (11) | 0.09385 (15) | 0.0322 (5) | |
H10A | 0.1091 | −0.1148 | 0.0272 | 0.048* | |
H10B | 0.0570 | −0.1812 | 0.0878 | 0.048* | |
H10C | 0.1820 | −0.1522 | 0.1189 | 0.048* | |
C19 | 0.74318 (15) | 0.12594 (12) | 0.36293 (15) | 0.0337 (5) | |
C26 | 0.70172 (15) | −0.10632 (12) | 0.30347 (17) | 0.0397 (5) | |
H26A | 0.6916 | −0.1106 | 0.2295 | 0.060* | |
H26B | 0.7342 | −0.1516 | 0.3317 | 0.060* | |
H26C | 0.7531 | −0.0657 | 0.3208 | 0.060* | |
C15 | 0.54563 (16) | 0.14709 (11) | 0.06436 (14) | 0.0317 (5) | |
C22 | 0.81251 (16) | 0.15123 (12) | 0.27222 (16) | 0.0392 (5) | |
H22A | 0.8578 | 0.1104 | 0.2488 | 0.059* | |
H22B | 0.8631 | 0.1912 | 0.2942 | 0.059* | |
H22C | 0.7603 | 0.1679 | 0.2166 | 0.059* | |
C25 | 0.50896 (15) | −0.16037 (10) | 0.32688 (16) | 0.0319 (5) | |
H25A | 0.4368 | −0.1547 | 0.3594 | 0.048* | |
H25B | 0.5484 | −0.2037 | 0.3540 | 0.048* | |
H25C | 0.4942 | −0.1658 | 0.2534 | 0.048* | |
C9 | 0.04860 (16) | −0.11709 (12) | 0.27787 (15) | 0.0361 (5) | |
H9A | 0.1243 | −0.1336 | 0.3021 | 0.054* | |
H9B | −0.0037 | −0.1586 | 0.2747 | 0.054* | |
H9C | 0.0212 | −0.0804 | 0.3246 | 0.054* | |
C8 | −0.06773 (14) | −0.06227 (11) | 0.12907 (16) | 0.0333 (5) | |
H8A | −0.1006 | −0.0277 | 0.1757 | 0.050* | |
H8B | −0.1149 | −0.1062 | 0.1240 | 0.050* | |
H8C | −0.0646 | −0.0399 | 0.0619 | 0.050* | |
C14 | 0.12294 (18) | 0.15125 (12) | 0.12845 (18) | 0.0431 (6) | |
H14A | 0.1674 | 0.1589 | 0.0688 | 0.065* | |
H14B | 0.0787 | 0.1951 | 0.1412 | 0.065* | |
H14C | 0.0714 | 0.1100 | 0.1162 | 0.065* | |
C24 | 0.59750 (17) | −0.08007 (12) | 0.46540 (15) | 0.0383 (5) | |
H24A | 0.6476 | −0.0384 | 0.4801 | 0.057* | |
H24B | 0.6305 | −0.1238 | 0.4979 | 0.057* | |
H24C | 0.5229 | −0.0705 | 0.4917 | 0.057* | |
C18 | 0.61862 (18) | 0.07777 (11) | 0.04708 (16) | 0.0419 (5) | |
H18A | 0.6922 | 0.0825 | 0.0848 | 0.063* | |
H18B | 0.6306 | 0.0725 | −0.0255 | 0.063* | |
H18C | 0.5789 | 0.0347 | 0.0710 | 0.063* | |
C21 | 0.66613 (18) | 0.18824 (13) | 0.40045 (17) | 0.0460 (6) | |
H21A | 0.6102 | 0.2017 | 0.3460 | 0.069* | |
H21B | 0.7130 | 0.2307 | 0.4193 | 0.069* | |
H21C | 0.6267 | 0.1715 | 0.4596 | 0.069* | |
C20 | 0.82989 (19) | 0.10426 (15) | 0.45208 (18) | 0.0604 (7) | |
H20A | 0.7885 | 0.0879 | 0.5103 | 0.091* | |
H20B | 0.8768 | 0.1465 | 0.4718 | 0.091* | |
H20C | 0.8786 | 0.0648 | 0.4299 | 0.091* | |
C13 | 0.28154 (16) | 0.20216 (11) | 0.24417 (19) | 0.0434 (6) | |
H13A | 0.3330 | 0.1925 | 0.3035 | 0.065* | |
H13B | 0.2343 | 0.2446 | 0.2575 | 0.065* | |
H13C | 0.3260 | 0.2119 | 0.1851 | 0.065* | |
C12 | 0.13658 (17) | 0.12059 (13) | 0.31861 (17) | 0.0446 (6) | |
H12A | 0.0834 | 0.0803 | 0.3052 | 0.067* | |
H12B | 0.0943 | 0.1646 | 0.3352 | 0.067* | |
H12C | 0.1894 | 0.1079 | 0.3759 | 0.067* | |
C17 | 0.60712 (19) | 0.21663 (12) | 0.02722 (16) | 0.0454 (6) | |
H17A | 0.5626 | 0.2599 | 0.0427 | 0.068* | |
H17B | 0.6147 | 0.2136 | −0.0462 | 0.068* | |
H17C | 0.6826 | 0.2201 | 0.0618 | 0.068* | |
C16 | 0.42881 (18) | 0.13947 (14) | 0.00506 (16) | 0.0474 (6) | |
H16A | 0.3868 | 0.0987 | 0.0329 | 0.071* | |
H16B | 0.4406 | 0.1303 | −0.0668 | 0.071* | |
H16C | 0.3853 | 0.1845 | 0.0116 | 0.071* |
U11 | U22 | U33 | U12 | U13 | U23 | |
N2 | 0.0194 (7) | 0.0190 (8) | 0.0320 (9) | −0.0003 (6) | −0.0011 (6) | −0.0015 (7) |
N1 | 0.0201 (8) | 0.0257 (9) | 0.0312 (9) | −0.0021 (6) | −0.0020 (6) | −0.0003 (7) |
N5 | 0.0182 (7) | 0.0214 (8) | 0.0275 (8) | −0.0033 (6) | −0.0022 (6) | 0.0056 (7) |
N4 | 0.0227 (8) | 0.0342 (10) | 0.0288 (9) | −0.0073 (7) | −0.0024 (7) | 0.0045 (7) |
N3 | 0.0303 (8) | 0.0208 (9) | 0.0265 (9) | −0.0073 (7) | −0.0005 (7) | 0.0003 (7) |
C4 | 0.0220 (9) | 0.0239 (10) | 0.0224 (9) | −0.0041 (8) | 0.0027 (7) | 0.0022 (8) |
C5 | 0.0224 (9) | 0.0241 (10) | 0.0163 (9) | −0.0007 (7) | 0.0003 (7) | 0.0008 (7) |
C2 | 0.0210 (9) | 0.0202 (10) | 0.0199 (9) | 0.0018 (7) | 0.0011 (7) | −0.0016 (7) |
C3 | 0.0224 (9) | 0.0192 (10) | 0.0223 (9) | −0.0017 (7) | 0.0014 (7) | −0.0012 (7) |
C1 | 0.0247 (9) | 0.0212 (10) | 0.0244 (10) | −0.0016 (8) | 0.0031 (8) | −0.0004 (8) |
C7 | 0.0225 (9) | 0.0238 (10) | 0.0310 (11) | −0.0049 (8) | −0.0003 (8) | 0.0000 (8) |
C11 | 0.0237 (9) | 0.0245 (11) | 0.0412 (12) | 0.0060 (8) | −0.0042 (8) | −0.0074 (9) |
C6 | 0.0226 (9) | 0.0195 (10) | 0.0284 (10) | −0.0022 (8) | 0.0000 (7) | 0.0031 (8) |
C23 | 0.0215 (9) | 0.0235 (10) | 0.0294 (10) | 0.0015 (8) | −0.0016 (8) | 0.0069 (8) |
C10 | 0.0300 (10) | 0.0303 (12) | 0.0358 (11) | −0.0034 (8) | −0.0038 (8) | −0.0016 (9) |
C19 | 0.0276 (10) | 0.0405 (13) | 0.0322 (11) | −0.0147 (9) | −0.0039 (8) | 0.0035 (9) |
C26 | 0.0253 (10) | 0.0363 (13) | 0.0580 (14) | 0.0069 (9) | 0.0052 (9) | 0.0047 (11) |
C15 | 0.0422 (11) | 0.0289 (11) | 0.0242 (10) | −0.0032 (9) | 0.0040 (8) | 0.0042 (8) |
C22 | 0.0288 (10) | 0.0415 (13) | 0.0476 (13) | −0.0102 (9) | 0.0035 (9) | 0.0037 (10) |
C25 | 0.0293 (10) | 0.0236 (11) | 0.0424 (12) | 0.0025 (8) | −0.0025 (9) | 0.0051 (9) |
C9 | 0.0335 (11) | 0.0382 (13) | 0.0365 (12) | −0.0088 (9) | 0.0013 (9) | 0.0040 (10) |
C8 | 0.0214 (9) | 0.0353 (12) | 0.0428 (12) | −0.0031 (8) | −0.0013 (8) | −0.0017 (9) |
C14 | 0.0433 (12) | 0.0272 (12) | 0.0566 (15) | 0.0092 (9) | −0.0176 (11) | −0.0001 (10) |
C24 | 0.0444 (12) | 0.0372 (13) | 0.0323 (12) | −0.0037 (10) | −0.0057 (9) | 0.0117 (10) |
C18 | 0.0590 (13) | 0.0361 (13) | 0.0320 (12) | −0.0028 (11) | 0.0153 (10) | −0.0046 (10) |
C21 | 0.0496 (13) | 0.0473 (15) | 0.0417 (13) | −0.0213 (11) | 0.0078 (10) | −0.0155 (11) |
C20 | 0.0519 (14) | 0.0710 (19) | 0.0553 (16) | −0.0315 (13) | −0.0246 (12) | 0.0148 (13) |
C13 | 0.0343 (11) | 0.0233 (11) | 0.0721 (16) | 0.0058 (9) | −0.0028 (11) | −0.0168 (11) |
C12 | 0.0296 (10) | 0.0553 (15) | 0.0491 (14) | 0.0022 (10) | 0.0036 (10) | −0.0205 (11) |
C17 | 0.0605 (14) | 0.0375 (13) | 0.0391 (12) | −0.0081 (11) | 0.0093 (10) | 0.0130 (10) |
C16 | 0.0567 (14) | 0.0539 (16) | 0.0306 (12) | −0.0081 (11) | −0.0070 (10) | 0.0073 (11) |
N2—C2 | 1.390 (2) | C22—H22A | 0.9600 |
N2—C1 | 1.445 (2) | C22—H22B | 0.9600 |
N2—C11 | 1.509 (2) | C22—H22C | 0.9600 |
N1—C1 | 1.270 (2) | C25—H25A | 0.9600 |
N1—C7 | 1.475 (2) | C25—H25B | 0.9600 |
N5—C5 | 1.378 (2) | C25—H25C | 0.9600 |
N5—C4 | 1.442 (2) | C9—H9A | 0.9600 |
N5—C23 | 1.494 (2) | C9—H9B | 0.9600 |
N4—C4 | 1.268 (2) | C9—H9C | 0.9600 |
N4—C19 | 1.478 (2) | C8—H8A | 0.9600 |
N3—C3 | 1.417 (2) | C8—H8B | 0.9600 |
N3—C15 | 1.503 (2) | C8—H8C | 0.9600 |
N3—H31 | 0.835 (9) | C14—H14A | 0.9600 |
C4—C3 | 1.502 (2) | C14—H14B | 0.9600 |
C5—C6 | 1.354 (2) | C14—H14C | 0.9600 |
C5—C2 | 1.458 (2) | C24—H24A | 0.9600 |
C2—C3 | 1.355 (2) | C24—H24B | 0.9600 |
C1—C6 | 1.466 (2) | C24—H24C | 0.9600 |
C7—C8 | 1.529 (2) | C18—H18A | 0.9600 |
C7—C9 | 1.530 (3) | C18—H18B | 0.9600 |
C7—C10 | 1.533 (3) | C18—H18C | 0.9600 |
C11—C13 | 1.518 (3) | C21—H21A | 0.9600 |
C11—C14 | 1.526 (3) | C21—H21B | 0.9600 |
C11—C12 | 1.528 (3) | C21—H21C | 0.9600 |
C6—H6 | 0.9300 | C20—H20A | 0.9600 |
C23—C24 | 1.522 (3) | C20—H20B | 0.9600 |
C23—C25 | 1.523 (2) | C20—H20C | 0.9600 |
C23—C26 | 1.530 (2) | C13—H13A | 0.9600 |
C10—H10A | 0.9600 | C13—H13B | 0.9600 |
C10—H10B | 0.9600 | C13—H13C | 0.9600 |
C10—H10C | 0.9600 | C12—H12A | 0.9600 |
C19—C22 | 1.526 (3) | C12—H12B | 0.9600 |
C19—C21 | 1.527 (3) | C12—H12C | 0.9600 |
C19—C20 | 1.535 (3) | C17—H17A | 0.9600 |
C26—H26A | 0.9600 | C17—H17B | 0.9600 |
C26—H26B | 0.9600 | C17—H17C | 0.9600 |
C26—H26C | 0.9600 | C16—H16A | 0.9600 |
C15—C16 | 1.521 (3) | C16—H16B | 0.9600 |
C15—C18 | 1.529 (3) | C16—H16C | 0.9600 |
C15—C17 | 1.529 (3) | ||
C2—N2—C1 | 106.96 (13) | H22A—C22—H22C | 109.5 |
C2—N2—C11 | 124.45 (14) | H22B—C22—H22C | 109.5 |
C1—N2—C11 | 118.73 (13) | C23—C25—H25A | 109.5 |
C1—N1—C7 | 124.98 (15) | C23—C25—H25B | 109.5 |
C5—N5—C4 | 107.19 (13) | H25A—C25—H25B | 109.5 |
C5—N5—C23 | 127.17 (13) | C23—C25—H25C | 109.5 |
C4—N5—C23 | 124.11 (13) | H25A—C25—H25C | 109.5 |
C4—N4—C19 | 129.09 (16) | H25B—C25—H25C | 109.5 |
C3—N3—C15 | 115.66 (14) | C7—C9—H9A | 109.5 |
C3—N3—H31 | 111.8 (14) | C7—C9—H9B | 109.5 |
C15—N3—H31 | 110.6 (13) | H9A—C9—H9B | 109.5 |
N4—C4—N5 | 118.47 (16) | C7—C9—H9C | 109.5 |
N4—C4—C3 | 135.25 (17) | H9A—C9—H9C | 109.5 |
N5—C4—C3 | 106.20 (13) | H9B—C9—H9C | 109.5 |
C6—C5—N5 | 142.05 (17) | C7—C8—H8A | 109.5 |
C6—C5—C2 | 108.76 (15) | C7—C8—H8B | 109.5 |
N5—C5—C2 | 108.87 (14) | H8A—C8—H8B | 109.5 |
C3—C2—N2 | 141.27 (17) | C7—C8—H8C | 109.5 |
C3—C2—C5 | 109.21 (14) | H8A—C8—H8C | 109.5 |
N2—C2—C5 | 108.79 (14) | H8B—C8—H8C | 109.5 |
C2—C3—N3 | 130.17 (16) | C11—C14—H14A | 109.5 |
C2—C3—C4 | 105.74 (15) | C11—C14—H14B | 109.5 |
N3—C3—C4 | 123.37 (14) | H14A—C14—H14B | 109.5 |
N1—C1—N2 | 118.54 (15) | C11—C14—H14C | 109.5 |
N1—C1—C6 | 134.26 (17) | H14A—C14—H14C | 109.5 |
N2—C1—C6 | 107.19 (14) | H14B—C14—H14C | 109.5 |
N1—C7—C8 | 104.94 (15) | C23—C24—H24A | 109.5 |
N1—C7—C9 | 112.46 (15) | C23—C24—H24B | 109.5 |
C8—C7—C9 | 108.84 (14) | H24A—C24—H24B | 109.5 |
N1—C7—C10 | 110.42 (13) | C23—C24—H24C | 109.5 |
C8—C7—C10 | 108.40 (15) | H24A—C24—H24C | 109.5 |
C9—C7—C10 | 111.48 (16) | H24B—C24—H24C | 109.5 |
N2—C11—C13 | 110.27 (13) | C15—C18—H18A | 109.5 |
N2—C11—C14 | 109.42 (15) | C15—C18—H18B | 109.5 |
C13—C11—C14 | 108.86 (17) | H18A—C18—H18B | 109.5 |
N2—C11—C12 | 109.46 (16) | C15—C18—H18C | 109.5 |
C13—C11—C12 | 107.89 (16) | H18A—C18—H18C | 109.5 |
C14—C11—C12 | 110.93 (16) | H18B—C18—H18C | 109.5 |
C5—C6—C1 | 108.13 (16) | C19—C21—H21A | 109.5 |
C5—C6—H6 | 125.9 | C19—C21—H21B | 109.5 |
C1—C6—H6 | 125.9 | H21A—C21—H21B | 109.5 |
N5—C23—C24 | 110.47 (15) | C19—C21—H21C | 109.5 |
N5—C23—C25 | 109.34 (14) | H21A—C21—H21C | 109.5 |
C24—C23—C25 | 108.87 (15) | H21B—C21—H21C | 109.5 |
N5—C23—C26 | 109.31 (14) | C19—C20—H20A | 109.5 |
C24—C23—C26 | 111.14 (16) | C19—C20—H20B | 109.5 |
C25—C23—C26 | 107.64 (15) | H20A—C20—H20B | 109.5 |
C7—C10—H10A | 109.5 | C19—C20—H20C | 109.5 |
C7—C10—H10B | 109.5 | H20A—C20—H20C | 109.5 |
H10A—C10—H10B | 109.5 | H20B—C20—H20C | 109.5 |
C7—C10—H10C | 109.5 | C11—C13—H13A | 109.5 |
H10A—C10—H10C | 109.5 | C11—C13—H13B | 109.5 |
H10B—C10—H10C | 109.5 | H13A—C13—H13B | 109.5 |
N4—C19—C22 | 111.83 (16) | C11—C13—H13C | 109.5 |
N4—C19—C21 | 113.59 (14) | H13A—C13—H13C | 109.5 |
C22—C19—C21 | 111.44 (17) | H13B—C13—H13C | 109.5 |
N4—C19—C20 | 103.33 (17) | C11—C12—H12A | 109.5 |
C22—C19—C20 | 107.70 (16) | C11—C12—H12B | 109.5 |
C21—C19—C20 | 108.41 (18) | H12A—C12—H12B | 109.5 |
C23—C26—H26A | 109.5 | C11—C12—H12C | 109.5 |
C23—C26—H26B | 109.5 | H12A—C12—H12C | 109.5 |
H26A—C26—H26B | 109.5 | H12B—C12—H12C | 109.5 |
C23—C26—H26C | 109.5 | C15—C17—H17A | 109.5 |
H26A—C26—H26C | 109.5 | C15—C17—H17B | 109.5 |
H26B—C26—H26C | 109.5 | H17A—C17—H17B | 109.5 |
N3—C15—C16 | 110.14 (15) | C15—C17—H17C | 109.5 |
N3—C15—C18 | 111.24 (15) | H17A—C17—H17C | 109.5 |
C16—C15—C18 | 109.52 (17) | H17B—C17—H17C | 109.5 |
N3—C15—C17 | 105.99 (16) | C15—C16—H16A | 109.5 |
C16—C15—C17 | 109.29 (17) | C15—C16—H16B | 109.5 |
C18—C15—C17 | 110.59 (16) | H16A—C16—H16B | 109.5 |
C19—C22—H22A | 109.5 | C15—C16—H16C | 109.5 |
C19—C22—H22B | 109.5 | H16A—C16—H16C | 109.5 |
H22A—C22—H22B | 109.5 | H16B—C16—H16C | 109.5 |
C19—C22—H22C | 109.5 |