Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805016922/cv6518sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805016922/cv6518Isup2.hkl |
CCDC reference: 277234
Data collection: CrysAlis CCD (Oxford Diffraction, 2001); cell refinement: CrysAlis RED (Oxford Diffraction, 2001); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-NT (Bruker, 1997); software used to prepare material for publication: SHELXL97.
C13H9N3O4 | Z = 4 |
Mr = 271.23 | F(000) = 560 |
Triclinic, P1 | Dx = 1.489 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 7.5001 (8) Å | Cell parameters from 3726 reflections |
b = 11.9920 (13) Å | θ = 3.1–36.6° |
c = 14.1110 (14) Å | µ = 0.11 mm−1 |
α = 90.867 (10)° | T = 100 K |
β = 93.531 (7)° | Plates, brown |
γ = 107.084 (8)° | 0.3 × 0.2 × 0.1 mm |
V = 1210.1 (2) Å3 |
Kuma KM-4-CCD κ-geometry diffractometer | 3926 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.052 |
Graphite monochromator | θmax = 28.5°, θmin = 3.1° |
ω scans | h = −9→9 |
14484 measured reflections | k = −16→15 |
6029 independent reflections | l = −16→18 |
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)] = 0.043 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.086 | H-atom parameters constrained |
S = 1.05 | w = 1/[σ2(Fo2) + (0.03P)2] where P = (Fo2 + 2Fc2)/3 |
6029 reflections | (Δ/σ)max = 0.045 |
433 parameters | Δρmax = 0.22 e Å−3 |
0 restraints | Δρmin = −0.27 e Å−3 |
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 | ||
C7A | 0.2366 (2) | 0.44624 (13) | 0.47209 (11) | 0.0153 (3) | |
C8A | 0.2691 (2) | 0.34089 (13) | 0.49573 (11) | 0.0157 (3) | |
N1A | 0.33979 (18) | 0.32233 (11) | 0.59236 (9) | 0.0188 (3) | |
O1A | 0.31842 (17) | 0.22143 (10) | 0.61560 (8) | 0.0272 (3) | |
O2A | 0.41790 (15) | 0.40845 (10) | 0.64458 (8) | 0.0219 (3) | |
C9A | 0.2419 (2) | 0.24920 (13) | 0.43000 (11) | 0.0173 (3) | |
H9A | 0.2644 | 0.1781 | 0.4476 | 0.021* | |
C10A | 0.1809 (2) | 0.26487 (13) | 0.33799 (11) | 0.0169 (3) | |
N2A | 0.14692 (18) | 0.16787 (11) | 0.26732 (10) | 0.0204 (3) | |
O3A | 0.18181 (17) | 0.07826 (10) | 0.29192 (9) | 0.0297 (3) | |
O4A | 0.08402 (15) | 0.18108 (10) | 0.18642 (8) | 0.0240 (3) | |
C11A | 0.1481 (2) | 0.36757 (13) | 0.30968 (11) | 0.0189 (3) | |
H11A | 0.1073 | 0.3764 | 0.2459 | 0.023* | |
C12A | 0.1769 (2) | 0.45707 (13) | 0.37752 (11) | 0.0177 (3) | |
H12A | 0.1555 | 0.5282 | 0.3593 | 0.021* | |
N14A | 0.28860 (18) | 0.64666 (11) | 0.50581 (9) | 0.0189 (3) | |
C14A | 0.2495 (2) | 0.54551 (13) | 0.53961 (11) | 0.0163 (3) | |
H14A | 0.2294 | 0.5336 | 0.6050 | 0.020* | |
C1A | 0.2599 (3) | 0.83858 (14) | 0.51495 (12) | 0.0268 (4) | |
H1A | 0.2423 | 0.8340 | 0.4476 | 0.032* | |
C2A | 0.2558 (3) | 0.93812 (15) | 0.56464 (13) | 0.0319 (4) | |
H2A | 0.2325 | 1.0012 | 0.5312 | 0.038* | |
C3A | 0.2854 (2) | 0.94649 (14) | 0.66323 (12) | 0.0247 (4) | |
H3AA | 0.2828 | 1.0152 | 0.6969 | 0.030* | |
C4A | 0.3186 (2) | 0.85475 (13) | 0.71213 (12) | 0.0207 (3) | |
H4A | 0.3399 | 0.8607 | 0.7793 | 0.025* | |
C5A | 0.3211 (2) | 0.75386 (13) | 0.66320 (11) | 0.0187 (3) | |
H5A | 0.3438 | 0.6909 | 0.6969 | 0.022* | |
C6A | 0.2900 (2) | 0.74521 (13) | 0.56400 (11) | 0.0179 (3) | |
C7B | 0.7647 (2) | 0.86159 (13) | 0.03765 (11) | 0.0153 (3) | |
C8B | 0.7122 (2) | 0.74240 (13) | 0.01471 (11) | 0.0163 (3) | |
N1B | 0.61029 (18) | 0.69298 (11) | −0.07683 (9) | 0.0201 (3) | |
O1B | 0.60700 (18) | 0.59371 (10) | −0.10135 (9) | 0.0327 (3) | |
O2B | 0.53319 (16) | 0.75305 (10) | −0.12407 (8) | 0.0248 (3) | |
C9B | 0.7506 (2) | 0.66176 (13) | 0.07643 (11) | 0.0180 (3) | |
H9B | 0.7129 | 0.5808 | 0.0597 | 0.022* | |
C10B | 0.8453 (2) | 0.70344 (13) | 0.16292 (11) | 0.0174 (3) | |
N2B | 0.89369 (18) | 0.62009 (12) | 0.22793 (10) | 0.0209 (3) | |
O3B | 0.85268 (17) | 0.51721 (10) | 0.20111 (9) | 0.0293 (3) | |
O4B | 0.97455 (16) | 0.65833 (10) | 0.30617 (8) | 0.0251 (3) | |
C11B | 0.9001 (2) | 0.82027 (13) | 0.19032 (11) | 0.0185 (3) | |
H11B | 0.9647 | 0.8465 | 0.2503 | 0.022* | |
C12B | 0.8579 (2) | 0.89794 (13) | 0.12754 (11) | 0.0172 (3) | |
H12B | 0.8931 | 0.9785 | 0.1457 | 0.021* | |
N14B | 0.73616 (17) | 1.05074 (11) | 0.01256 (9) | 0.0179 (3) | |
C14B | 0.7401 (2) | 0.95486 (13) | −0.02564 (11) | 0.0168 (3) | |
H14B | 0.7277 | 0.9431 | −0.0927 | 0.020* | |
C1B | 0.7898 (2) | 1.25572 (13) | −0.00333 (12) | 0.0193 (3) | |
H1B | 0.8441 | 1.2662 | 0.0600 | 0.023* | |
C2B | 0.7771 (2) | 1.35163 (14) | −0.05462 (12) | 0.0219 (4) | |
H2B | 0.8248 | 1.4279 | −0.0264 | 0.026* | |
C3B | 0.6953 (2) | 1.33669 (14) | −0.14689 (12) | 0.0239 (4) | |
H3B | 0.6862 | 1.4026 | −0.1812 | 0.029* | |
C4B | 0.6271 (2) | 1.22574 (14) | −0.18889 (12) | 0.0229 (4) | |
H4B | 0.5712 | 1.2156 | −0.2519 | 0.027* | |
C5B | 0.6404 (2) | 1.12964 (14) | −0.13875 (12) | 0.0204 (3) | |
H5B | 0.5938 | 1.0537 | −0.1677 | 0.024* | |
C6B | 0.7219 (2) | 1.14373 (13) | −0.04577 (11) | 0.0167 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C7A | 0.0110 (7) | 0.0157 (8) | 0.0188 (8) | 0.0033 (6) | 0.0009 (6) | −0.0011 (6) |
C8A | 0.0136 (7) | 0.0169 (8) | 0.0161 (8) | 0.0042 (6) | −0.0006 (6) | 0.0005 (6) |
N1A | 0.0199 (7) | 0.0202 (7) | 0.0184 (7) | 0.0091 (5) | 0.0007 (5) | −0.0006 (6) |
O1A | 0.0404 (7) | 0.0198 (6) | 0.0239 (6) | 0.0133 (5) | −0.0014 (5) | 0.0043 (5) |
O2A | 0.0214 (6) | 0.0247 (6) | 0.0195 (6) | 0.0076 (5) | −0.0026 (5) | −0.0050 (5) |
C9A | 0.0158 (8) | 0.0145 (8) | 0.0221 (8) | 0.0054 (6) | 0.0014 (6) | 0.0004 (6) |
C10A | 0.0152 (8) | 0.0151 (7) | 0.0196 (8) | 0.0040 (6) | 0.0001 (6) | −0.0062 (6) |
N2A | 0.0177 (7) | 0.0201 (7) | 0.0232 (8) | 0.0055 (5) | 0.0018 (6) | −0.0042 (6) |
O3A | 0.0381 (7) | 0.0200 (6) | 0.0333 (7) | 0.0139 (5) | −0.0051 (6) | −0.0074 (5) |
O4A | 0.0257 (6) | 0.0261 (6) | 0.0183 (6) | 0.0056 (5) | −0.0018 (5) | −0.0052 (5) |
C11A | 0.0185 (8) | 0.0212 (8) | 0.0166 (8) | 0.0060 (6) | −0.0033 (6) | 0.0009 (6) |
C12A | 0.0171 (8) | 0.0155 (8) | 0.0212 (8) | 0.0067 (6) | −0.0017 (6) | −0.0006 (6) |
N14A | 0.0209 (7) | 0.0169 (7) | 0.0200 (7) | 0.0079 (5) | −0.0001 (5) | −0.0018 (5) |
C14A | 0.0172 (8) | 0.0179 (8) | 0.0155 (8) | 0.0081 (6) | −0.0005 (6) | −0.0014 (6) |
C1A | 0.0434 (11) | 0.0199 (9) | 0.0179 (9) | 0.0106 (7) | 0.0018 (7) | 0.0014 (7) |
C2A | 0.0516 (12) | 0.0173 (9) | 0.0300 (10) | 0.0153 (8) | 0.0016 (8) | 0.0026 (7) |
C3A | 0.0293 (9) | 0.0167 (8) | 0.0285 (9) | 0.0079 (7) | 0.0024 (7) | −0.0069 (7) |
C4A | 0.0198 (8) | 0.0210 (8) | 0.0203 (8) | 0.0051 (6) | −0.0012 (6) | −0.0038 (7) |
C5A | 0.0189 (8) | 0.0170 (8) | 0.0205 (8) | 0.0062 (6) | −0.0011 (6) | 0.0004 (6) |
C6A | 0.0183 (8) | 0.0146 (8) | 0.0208 (8) | 0.0047 (6) | 0.0020 (6) | −0.0020 (6) |
C7B | 0.0146 (7) | 0.0169 (8) | 0.0164 (8) | 0.0077 (6) | 0.0021 (6) | 0.0011 (6) |
C8B | 0.0157 (8) | 0.0182 (8) | 0.0156 (8) | 0.0063 (6) | 0.0000 (6) | −0.0009 (6) |
N1B | 0.0217 (7) | 0.0203 (7) | 0.0175 (7) | 0.0052 (6) | −0.0005 (6) | −0.0006 (6) |
O1B | 0.0478 (8) | 0.0204 (7) | 0.0289 (7) | 0.0102 (6) | −0.0055 (6) | −0.0067 (5) |
O2B | 0.0244 (6) | 0.0298 (7) | 0.0215 (6) | 0.0110 (5) | −0.0047 (5) | 0.0018 (5) |
C9B | 0.0165 (8) | 0.0168 (8) | 0.0218 (8) | 0.0062 (6) | 0.0033 (6) | 0.0015 (6) |
C10B | 0.0153 (8) | 0.0193 (8) | 0.0208 (8) | 0.0094 (6) | 0.0028 (6) | 0.0059 (6) |
N2B | 0.0197 (7) | 0.0215 (7) | 0.0241 (8) | 0.0096 (6) | 0.0031 (6) | 0.0072 (6) |
O3B | 0.0344 (7) | 0.0191 (6) | 0.0360 (7) | 0.0109 (5) | −0.0002 (6) | 0.0079 (5) |
O4B | 0.0244 (6) | 0.0319 (7) | 0.0211 (6) | 0.0118 (5) | −0.0006 (5) | 0.0071 (5) |
C11B | 0.0185 (8) | 0.0224 (8) | 0.0158 (8) | 0.0080 (6) | 0.0003 (6) | −0.0001 (6) |
C12B | 0.0178 (8) | 0.0153 (8) | 0.0191 (8) | 0.0059 (6) | 0.0013 (6) | −0.0007 (6) |
N14B | 0.0184 (7) | 0.0168 (7) | 0.0189 (7) | 0.0068 (5) | −0.0020 (5) | 0.0015 (5) |
C14B | 0.0168 (8) | 0.0198 (8) | 0.0142 (8) | 0.0065 (6) | 0.0001 (6) | 0.0019 (6) |
C1B | 0.0183 (8) | 0.0203 (8) | 0.0205 (8) | 0.0076 (6) | 0.0015 (6) | −0.0005 (6) |
C2B | 0.0216 (9) | 0.0151 (8) | 0.0310 (10) | 0.0079 (6) | 0.0049 (7) | 0.0003 (7) |
C3B | 0.0216 (9) | 0.0227 (9) | 0.0313 (10) | 0.0112 (7) | 0.0064 (7) | 0.0120 (7) |
C4B | 0.0212 (8) | 0.0268 (9) | 0.0228 (9) | 0.0104 (7) | 0.0007 (7) | 0.0053 (7) |
C5B | 0.0194 (8) | 0.0188 (8) | 0.0230 (9) | 0.0064 (6) | −0.0012 (6) | −0.0001 (6) |
C6B | 0.0147 (8) | 0.0176 (8) | 0.0201 (8) | 0.0082 (6) | 0.0023 (6) | 0.0036 (6) |
C7A—C8A | 1.397 (2) | C7B—C8B | 1.394 (2) |
C7A—C12A | 1.401 (2) | C7B—C12B | 1.408 (2) |
C7A—C14A | 1.490 (2) | C7B—C14B | 1.488 (2) |
C8A—C9A | 1.387 (2) | C8B—C9B | 1.391 (2) |
C8A—N1A | 1.4761 (19) | C8B—N1B | 1.4810 (19) |
N1A—O1A | 1.2255 (17) | N1B—O1B | 1.2274 (17) |
N1A—O2A | 1.2333 (16) | N1B—O2B | 1.2286 (17) |
C9A—C10A | 1.384 (2) | C9B—C10B | 1.382 (2) |
C9A—H9A | 0.9500 | C9B—H9B | 0.9500 |
C10A—C11A | 1.385 (2) | C10B—C11B | 1.381 (2) |
C10A—N2A | 1.4738 (19) | C10B—N2B | 1.4739 (19) |
N2A—O3A | 1.2284 (17) | N2B—O3B | 1.2282 (17) |
N2A—O4A | 1.2385 (17) | N2B—O4B | 1.2392 (17) |
C11A—C12A | 1.386 (2) | C11B—C12B | 1.384 (2) |
C11A—H11A | 0.9500 | C11B—H11B | 0.9500 |
C12A—H12A | 0.9500 | C12B—H12B | 0.9500 |
N14A—C14A | 1.2690 (19) | N14B—C14B | 1.271 (2) |
N14A—C6A | 1.4260 (19) | N14B—C6B | 1.4211 (19) |
C14A—H14A | 0.9500 | C14B—H14B | 0.9500 |
C1A—C2A | 1.385 (2) | C1B—C2B | 1.392 (2) |
C1A—C6A | 1.391 (2) | C1B—C6B | 1.399 (2) |
C1A—H1A | 0.9500 | C1B—H1B | 0.9500 |
C2A—C3A | 1.393 (2) | C2B—C3B | 1.391 (2) |
C2A—H2A | 0.9500 | C2B—H2B | 0.9500 |
C3A—C4A | 1.383 (2) | C3B—C4B | 1.386 (2) |
C3A—H3AA | 0.9500 | C3B—H3B | 0.9500 |
C4A—C5A | 1.389 (2) | C4B—C5B | 1.386 (2) |
C4A—H4A | 0.9500 | C4B—H4B | 0.9500 |
C5A—C6A | 1.402 (2) | C5B—C6B | 1.399 (2) |
C5A—H5A | 0.9500 | C5B—H5B | 0.9500 |
C8A—C7A—C12A | 117.08 (13) | C8B—C7B—C12B | 116.99 (13) |
C8A—C7A—C14A | 125.75 (13) | C8B—C7B—C14B | 126.17 (14) |
C12A—C7A—C14A | 117.08 (13) | C12B—C7B—C14B | 116.76 (13) |
C9A—C8A—C7A | 122.42 (14) | C9B—C8B—C7B | 122.33 (14) |
C9A—C8A—N1A | 116.18 (13) | C9B—C8B—N1B | 115.48 (13) |
C7A—C8A—N1A | 121.39 (13) | C7B—C8B—N1B | 122.19 (13) |
O1A—N1A—O2A | 123.82 (13) | O1B—N1B—O2B | 123.45 (13) |
O1A—N1A—C8A | 117.60 (12) | O1B—N1B—C8B | 118.06 (13) |
O2A—N1A—C8A | 118.58 (12) | O2B—N1B—C8B | 118.49 (13) |
C10A—C9A—C8A | 117.72 (14) | C10B—C9B—C8B | 117.75 (14) |
C10A—C9A—H9A | 121.1 | C10B—C9B—H9B | 121.1 |
C8A—C9A—H9A | 121.1 | C8B—C9B—H9B | 121.1 |
C9A—C10A—C11A | 122.74 (14) | C11B—C10B—C9B | 122.84 (14) |
C9A—C10A—N2A | 118.78 (13) | C11B—C10B—N2B | 118.48 (14) |
C11A—C10A—N2A | 118.48 (14) | C9B—C10B—N2B | 118.67 (14) |
O3A—N2A—O4A | 123.61 (13) | O3B—N2B—O4B | 123.98 (13) |
O3A—N2A—C10A | 118.27 (13) | O3B—N2B—C10B | 118.10 (13) |
O4A—N2A—C10A | 118.12 (13) | O4B—N2B—C10B | 117.92 (13) |
C10A—C11A—C12A | 117.75 (14) | C10B—C11B—C12B | 117.86 (14) |
C10A—C11A—H11A | 121.1 | C10B—C11B—H11B | 121.1 |
C12A—C11A—H11A | 121.1 | C12B—C11B—H11B | 121.1 |
C11A—C12A—C7A | 122.29 (14) | C11B—C12B—C7B | 122.21 (14) |
C11A—C12A—H12A | 118.9 | C11B—C12B—H12B | 118.9 |
C7A—C12A—H12A | 118.9 | C7B—C12B—H12B | 118.9 |
C14A—N14A—C6A | 120.50 (14) | C14B—N14B—C6B | 119.68 (13) |
N14A—C14A—C7A | 116.97 (14) | N14B—C14B—C7B | 118.16 (14) |
N14A—C14A—H14A | 121.5 | N14B—C14B—H14B | 120.9 |
C7A—C14A—H14A | 121.5 | C7B—C14B—H14B | 120.9 |
C2A—C1A—C6A | 119.77 (16) | C2B—C1B—C6B | 119.50 (15) |
C2A—C1A—H1A | 120.1 | C2B—C1B—H1B | 120.3 |
C6A—C1A—H1A | 120.1 | C6B—C1B—H1B | 120.3 |
C1A—C2A—C3A | 120.49 (16) | C3B—C2B—C1B | 120.51 (15) |
C1A—C2A—H2A | 119.8 | C3B—C2B—H2B | 119.7 |
C3A—C2A—H2A | 119.8 | C1B—C2B—H2B | 119.7 |
C4A—C3A—C2A | 119.93 (15) | C4B—C3B—C2B | 120.07 (15) |
C4A—C3A—H3AA | 120.0 | C4B—C3B—H3B | 120.0 |
C2A—C3A—H3AA | 120.0 | C2B—C3B—H3B | 120.0 |
C3A—C4A—C5A | 120.15 (15) | C5B—C4B—C3B | 119.91 (15) |
C3A—C4A—H4A | 119.9 | C5B—C4B—H4B | 120.0 |
C5A—C4A—H4A | 119.9 | C3B—C4B—H4B | 120.0 |
C4A—C5A—C6A | 119.87 (14) | C4B—C5B—C6B | 120.45 (15) |
C4A—C5A—H5A | 120.1 | C4B—C5B—H5B | 119.8 |
C6A—C5A—H5A | 120.1 | C6B—C5B—H5B | 119.8 |
C1A—C6A—C5A | 119.77 (14) | C5B—C6B—C1B | 119.55 (14) |
C1A—C6A—N14A | 114.98 (14) | C5B—C6B—N14B | 124.72 (14) |
C5A—C6A—N14A | 125.25 (14) | C1B—C6B—N14B | 115.69 (14) |
C12A—C7A—C8A—C9A | −0.9 (2) | C12B—C7B—C8B—C9B | −0.7 (2) |
C14A—C7A—C8A—C9A | 175.46 (14) | C14B—C7B—C8B—C9B | 176.10 (14) |
C12A—C7A—C8A—N1A | 177.43 (13) | C12B—C7B—C8B—N1B | 178.83 (13) |
C14A—C7A—C8A—N1A | −6.2 (2) | C14B—C7B—C8B—N1B | −4.4 (2) |
C9A—C8A—N1A—O1A | −20.62 (19) | C9B—C8B—N1B—O1B | −17.1 (2) |
C7A—C8A—N1A—O1A | 160.95 (14) | C7B—C8B—N1B—O1B | 163.38 (14) |
C9A—C8A—N1A—O2A | 158.76 (13) | C9B—C8B—N1B—O2B | 162.70 (13) |
C7A—C8A—N1A—O2A | −19.7 (2) | C7B—C8B—N1B—O2B | −16.8 (2) |
C7A—C8A—C9A—C10A | 0.2 (2) | C7B—C8B—C9B—C10B | −0.4 (2) |
N1A—C8A—C9A—C10A | −178.17 (13) | N1B—C8B—C9B—C10B | −179.92 (13) |
C8A—C9A—C10A—C11A | 0.5 (2) | C8B—C9B—C10B—C11B | 0.9 (2) |
C8A—C9A—C10A—N2A | −178.67 (13) | C8B—C9B—C10B—N2B | −177.71 (13) |
C9A—C10A—N2A—O3A | −3.1 (2) | C11B—C10B—N2B—O3B | −176.44 (14) |
C11A—C10A—N2A—O3A | 177.72 (14) | C9B—C10B—N2B—O3B | 2.2 (2) |
C9A—C10A—N2A—O4A | 176.67 (13) | C11B—C10B—N2B—O4B | 3.1 (2) |
C11A—C10A—N2A—O4A | −2.5 (2) | C9B—C10B—N2B—O4B | −178.27 (14) |
C9A—C10A—C11A—C12A | −0.5 (2) | C9B—C10B—C11B—C12B | −0.2 (2) |
N2A—C10A—C11A—C12A | 178.65 (13) | N2B—C10B—C11B—C12B | 178.36 (13) |
C10A—C11A—C12A—C7A | −0.2 (2) | C10B—C11B—C12B—C7B | −0.9 (2) |
C8A—C7A—C12A—C11A | 0.9 (2) | C8B—C7B—C12B—C11B | 1.3 (2) |
C14A—C7A—C12A—C11A | −175.81 (14) | C14B—C7B—C12B—C11B | −175.73 (14) |
C6A—N14A—C14A—C7A | 175.34 (12) | C6B—N14B—C14B—C7B | 176.98 (13) |
C8A—C7A—C14A—N14A | 153.03 (15) | C8B—C7B—C14B—N14B | 157.15 (15) |
C12A—C7A—C14A—N14A | −30.6 (2) | C12B—C7B—C14B—N14B | −26.1 (2) |
C6A—C1A—C2A—C3A | 1.4 (3) | C6B—C1B—C2B—C3B | 0.9 (2) |
C1A—C2A—C3A—C4A | −0.2 (3) | C1B—C2B—C3B—C4B | −0.6 (2) |
C2A—C3A—C4A—C5A | −0.5 (3) | C2B—C3B—C4B—C5B | 0.0 (2) |
C3A—C4A—C5A—C6A | 0.1 (2) | C3B—C4B—C5B—C6B | 0.2 (2) |
C2A—C1A—C6A—C5A | −1.8 (3) | C4B—C5B—C6B—C1B | 0.2 (2) |
C2A—C1A—C6A—N14A | 179.07 (16) | C4B—C5B—C6B—N14B | 177.68 (14) |
C4A—C5A—C6A—C1A | 1.1 (2) | C2B—C1B—C6B—C5B | −0.7 (2) |
C4A—C5A—C6A—N14A | −179.88 (14) | C2B—C1B—C6B—N14B | −178.45 (13) |
C14A—N14A—C6A—C1A | −155.43 (15) | C14B—N14B—C6B—C5B | 26.4 (2) |
C14A—N14A—C6A—C5A | 25.5 (2) | C14B—N14B—C6B—C1B | −156.00 (14) |