| Literature DB >> 21582390 |
Jun Luo, Xin-Rong Zhang, Li-Juan Qiu, Bao-Shu Liu, Zhi-Yan Zhang.
Abstract
The title complex, [Co(C(15)H(11)N(3))(2)](Entities:
Year: 2009 PMID: 21582390 PMCID: PMC2968836 DOI: 10.1107/S160053680901071X
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Co(C15H11N3)2](C4N3)2 | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 925 reflections |
| θ = 2.3–17.9° | |
| µ = 0.56 mm−1 | |
| β = 91.163 (6)° | Block, dark-brown |
| 0.20 × 0.15 × 0.10 mm | |
| Bruker SMART APEX CCD area-detector diffractometer | 5880 independent reflections |
| Radiation source: fine-focus sealed tube | 3009 reflections with |
| graphite | |
| φ and ω scans | θmax = 25.0°, θmin = 1.0° |
| Absorption correction: multi-scan ( | |
| 13582 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 5880 reflections | (Δ/σ)max = 0.001 |
| 460 parameters | Δρmax = 0.27 e Å−3 |
| 0 restraints | Δρmin = −0.20 e Å−3 |
| Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
| Refinement. Refinement of |
| Co1 | 0.50103 (6) | 0.82076 (6) | 0.873406 (12) | 0.04411 (18) | |
| N1 | 0.5876 (3) | 1.0222 (4) | 0.87728 (8) | 0.0463 (9) | |
| N2 | 0.4973 (3) | 0.8719 (4) | 0.82884 (7) | 0.0448 (9) | |
| N3 | 0.4127 (3) | 0.6366 (3) | 0.85446 (8) | 0.0442 (9) | |
| N4 | 0.2901 (4) | 0.9020 (3) | 0.88713 (8) | 0.0481 (9) | |
| N5 | 0.4994 (4) | 0.7677 (3) | 0.91878 (7) | 0.0390 (8) | |
| N6 | 0.7138 (3) | 0.7206 (3) | 0.87885 (8) | 0.0463 (9) | |
| N7 | 0.7089 (6) | 1.5090 (7) | 0.78492 (11) | 0.125 (2) | |
| N8 | 0.5165 (6) | 1.6925 (6) | 0.69117 (11) | 0.1123 (18) | |
| N9 | 0.4373 (7) | 1.2455 (7) | 0.71648 (15) | 0.143 (2) | |
| N10 | −0.1268 (5) | 0.3628 (5) | 0.98032 (11) | 0.0990 (16) | |
| N11 | 0.3099 (6) | 0.3292 (7) | 0.93731 (12) | 0.134 (2) | |
| N12 | 0.1971 (5) | 0.0363 (5) | 1.01956 (9) | 0.0799 (13) | |
| C1 | 0.6312 (5) | 1.0933 (5) | 0.90478 (11) | 0.0591 (12) | |
| H1 | 0.6209 | 1.0478 | 0.9252 | 0.071* | |
| C2 | 0.6907 (5) | 1.2314 (6) | 0.90391 (13) | 0.0734 (15) | |
| H2 | 0.7200 | 1.2783 | 0.9234 | 0.088* | |
| C3 | 0.7061 (5) | 1.2981 (5) | 0.87393 (15) | 0.0823 (16) | |
| H3 | 0.7464 | 1.3913 | 0.8728 | 0.099* | |
| C4 | 0.6618 (5) | 1.2270 (5) | 0.84551 (12) | 0.0665 (14) | |
| H4 | 0.6721 | 1.2713 | 0.8249 | 0.080* | |
| C5 | 0.6023 (4) | 1.0899 (5) | 0.84780 (11) | 0.0495 (11) | |
| C6 | 0.5480 (4) | 1.0029 (5) | 0.81958 (10) | 0.0502 (11) | |
| C7 | 0.5449 (5) | 1.0430 (5) | 0.78661 (11) | 0.0687 (14) | |
| H7 | 0.5823 | 1.1327 | 0.7801 | 0.082* | |
| C8 | 0.4850 (5) | 0.9473 (6) | 0.76338 (11) | 0.0746 (15) | |
| H8 | 0.4813 | 0.9730 | 0.7411 | 0.090* | |
| C9 | 0.4313 (5) | 0.8148 (6) | 0.77329 (10) | 0.0677 (13) | |
| H9 | 0.3899 | 0.7505 | 0.7579 | 0.081* | |
| C10 | 0.4397 (4) | 0.7784 (5) | 0.80649 (10) | 0.0506 (12) | |
| C11 | 0.3901 (4) | 0.6421 (5) | 0.82150 (10) | 0.0483 (11) | |
| C12 | 0.3275 (5) | 0.5262 (5) | 0.80430 (11) | 0.0651 (13) | |
| H12 | 0.3131 | 0.5316 | 0.7814 | 0.078* | |
| C13 | 0.2866 (5) | 0.4027 (5) | 0.82127 (13) | 0.0782 (15) | |
| H13 | 0.2444 | 0.3240 | 0.8100 | 0.094* | |
| C14 | 0.3089 (5) | 0.3974 (5) | 0.85490 (13) | 0.0686 (14) | |
| H14 | 0.2815 | 0.3157 | 0.8670 | 0.082* | |
| C15 | 0.3725 (4) | 0.5155 (5) | 0.87038 (11) | 0.0553 (12) | |
| H15 | 0.3887 | 0.5111 | 0.8932 | 0.066* | |
| C16 | 0.1884 (5) | 0.9738 (5) | 0.86914 (10) | 0.0570 (12) | |
| H16 | 0.2067 | 0.9920 | 0.8469 | 0.068* | |
| C17 | 0.0580 (5) | 1.0218 (5) | 0.88197 (11) | 0.0650 (13) | |
| H17 | −0.0096 | 1.0734 | 0.8688 | 0.078* | |
| C18 | 0.0289 (5) | 0.9927 (5) | 0.91433 (12) | 0.0665 (14) | |
| H18 | −0.0597 | 1.0226 | 0.9235 | 0.080* | |
| C19 | 0.1318 (5) | 0.9189 (5) | 0.93328 (10) | 0.0569 (12) | |
| H19 | 0.1140 | 0.8988 | 0.9554 | 0.068* | |
| C20 | 0.2617 (5) | 0.8748 (4) | 0.91917 (10) | 0.0447 (11) | |
| C21 | 0.3810 (5) | 0.7973 (4) | 0.93730 (10) | 0.0441 (10) | |
| C22 | 0.3758 (5) | 0.7565 (5) | 0.97017 (10) | 0.0575 (12) | |
| H22 | 0.2949 | 0.7805 | 0.9829 | 0.069* | |
| C23 | 0.4929 (6) | 0.6797 (5) | 0.98366 (10) | 0.0651 (13) | |
| H23 | 0.4913 | 0.6513 | 1.0058 | 0.078* | |
| C24 | 0.6118 (5) | 0.6446 (4) | 0.96480 (10) | 0.0521 (12) | |
| H24 | 0.6889 | 0.5884 | 0.9735 | 0.063* | |
| C25 | 0.6151 (4) | 0.6943 (4) | 0.93254 (10) | 0.0436 (10) | |
| C26 | 0.7392 (4) | 0.6738 (4) | 0.91018 (10) | 0.0434 (10) | |
| C27 | 0.8725 (5) | 0.6127 (4) | 0.91970 (11) | 0.0582 (12) | |
| H27 | 0.8894 | 0.5840 | 0.9416 | 0.070* | |
| C28 | 0.9802 (5) | 0.5945 (5) | 0.89658 (13) | 0.0671 (14) | |
| H28 | 1.0700 | 0.5516 | 0.9026 | 0.081* | |
| C29 | 0.9545 (5) | 0.6399 (5) | 0.86442 (12) | 0.0709 (14) | |
| H29 | 1.0257 | 0.6282 | 0.8483 | 0.085* | |
| C30 | 0.8198 (5) | 0.7032 (5) | 0.85694 (10) | 0.0578 (12) | |
| H30 | 0.8022 | 0.7355 | 0.8354 | 0.069* | |
| C31 | 0.6441 (6) | 1.4961 (6) | 0.76014 (16) | 0.0919 (18) | |
| C32 | 0.5614 (6) | 1.4782 (7) | 0.73069 (14) | 0.0798 (16) | |
| C33 | 0.5377 (6) | 1.5952 (8) | 0.70963 (15) | 0.0877 (18) | |
| C34 | 0.4954 (7) | 1.3530 (9) | 0.72316 (15) | 0.095 (2) | |
| C35 | −0.0143 (7) | 0.3069 (6) | 0.98015 (11) | 0.0685 (14) | |
| C36 | 0.1248 (6) | 0.2411 (5) | 0.97914 (11) | 0.0605 (13) | |
| C37 | 0.2264 (7) | 0.2885 (6) | 0.95613 (13) | 0.0851 (17) | |
| C38 | 0.1641 (5) | 0.1271 (6) | 1.00156 (12) | 0.0623 (14) |
| Co1 | 0.0432 (4) | 0.0457 (3) | 0.0434 (3) | 0.0000 (3) | 0.0007 (2) | 0.0009 (3) |
| N1 | 0.043 (2) | 0.051 (2) | 0.044 (2) | 0.0019 (18) | −0.0023 (17) | 0.0019 (19) |
| N2 | 0.043 (2) | 0.049 (2) | 0.043 (2) | −0.0044 (18) | −0.0004 (17) | −0.0033 (18) |
| N3 | 0.040 (2) | 0.049 (2) | 0.044 (2) | −0.0012 (17) | 0.0030 (17) | −0.0019 (18) |
| N4 | 0.047 (2) | 0.052 (2) | 0.045 (2) | 0.0024 (18) | 0.0013 (18) | −0.0024 (18) |
| N5 | 0.038 (2) | 0.038 (2) | 0.041 (2) | −0.0004 (17) | 0.0005 (17) | 0.0006 (16) |
| N6 | 0.043 (2) | 0.047 (2) | 0.049 (2) | −0.0055 (17) | 0.0023 (18) | 0.0000 (18) |
| N7 | 0.109 (5) | 0.181 (6) | 0.084 (4) | 0.013 (4) | −0.007 (3) | 0.006 (4) |
| N8 | 0.137 (5) | 0.114 (5) | 0.087 (4) | 0.011 (4) | 0.004 (3) | −0.002 (3) |
| N9 | 0.137 (6) | 0.116 (5) | 0.176 (6) | −0.024 (4) | −0.028 (4) | 0.016 (4) |
| N10 | 0.082 (4) | 0.086 (4) | 0.129 (4) | 0.016 (3) | 0.010 (3) | 0.036 (3) |
| N11 | 0.106 (4) | 0.194 (6) | 0.104 (4) | −0.018 (4) | 0.023 (3) | 0.068 (4) |
| N12 | 0.090 (4) | 0.076 (3) | 0.073 (3) | 0.004 (3) | 0.001 (2) | 0.013 (2) |
| C1 | 0.054 (3) | 0.063 (3) | 0.060 (3) | 0.004 (3) | −0.008 (2) | 0.003 (3) |
| C2 | 0.062 (4) | 0.062 (4) | 0.097 (4) | −0.002 (3) | −0.010 (3) | −0.019 (3) |
| C3 | 0.073 (4) | 0.050 (3) | 0.123 (5) | −0.010 (3) | −0.008 (3) | −0.008 (4) |
| C4 | 0.062 (4) | 0.053 (3) | 0.084 (4) | −0.003 (3) | −0.003 (3) | 0.009 (3) |
| C5 | 0.036 (3) | 0.043 (3) | 0.069 (3) | −0.001 (2) | 0.000 (2) | 0.011 (3) |
| C6 | 0.048 (3) | 0.056 (3) | 0.046 (3) | 0.002 (2) | 0.000 (2) | 0.003 (3) |
| C7 | 0.076 (4) | 0.071 (4) | 0.059 (3) | −0.006 (3) | 0.004 (3) | 0.019 (3) |
| C8 | 0.076 (4) | 0.096 (4) | 0.053 (3) | −0.001 (3) | 0.002 (3) | 0.015 (3) |
| C9 | 0.075 (4) | 0.082 (4) | 0.046 (3) | −0.008 (3) | −0.003 (2) | 0.002 (3) |
| C10 | 0.052 (3) | 0.063 (3) | 0.037 (3) | 0.001 (2) | 0.001 (2) | 0.002 (2) |
| C11 | 0.042 (3) | 0.055 (3) | 0.047 (3) | 0.004 (2) | 0.002 (2) | −0.007 (2) |
| C12 | 0.069 (4) | 0.071 (4) | 0.055 (3) | −0.009 (3) | −0.002 (3) | −0.018 (3) |
| C13 | 0.078 (4) | 0.068 (4) | 0.089 (4) | −0.020 (3) | −0.003 (3) | −0.014 (3) |
| C14 | 0.070 (4) | 0.053 (3) | 0.082 (4) | −0.015 (3) | 0.001 (3) | 0.002 (3) |
| C15 | 0.048 (3) | 0.058 (3) | 0.060 (3) | −0.005 (3) | 0.007 (2) | 0.004 (3) |
| C16 | 0.059 (4) | 0.065 (3) | 0.047 (3) | 0.010 (3) | 0.002 (3) | 0.003 (2) |
| C17 | 0.055 (4) | 0.077 (4) | 0.063 (3) | 0.015 (3) | −0.011 (3) | 0.002 (3) |
| C18 | 0.048 (3) | 0.085 (4) | 0.066 (3) | 0.013 (3) | 0.003 (3) | −0.012 (3) |
| C19 | 0.050 (3) | 0.071 (3) | 0.050 (3) | 0.005 (3) | 0.000 (3) | −0.015 (2) |
| C20 | 0.043 (3) | 0.045 (3) | 0.047 (3) | 0.003 (2) | 0.002 (2) | −0.005 (2) |
| C21 | 0.049 (3) | 0.040 (3) | 0.043 (3) | −0.004 (2) | 0.003 (2) | 0.000 (2) |
| C22 | 0.061 (3) | 0.059 (3) | 0.053 (3) | 0.001 (3) | 0.013 (2) | 0.004 (2) |
| C23 | 0.072 (4) | 0.074 (3) | 0.050 (3) | 0.003 (3) | 0.004 (3) | 0.014 (3) |
| C24 | 0.059 (3) | 0.044 (3) | 0.053 (3) | 0.002 (2) | −0.005 (2) | 0.007 (2) |
| C25 | 0.044 (3) | 0.038 (2) | 0.048 (3) | −0.006 (2) | 0.000 (2) | −0.002 (2) |
| C26 | 0.041 (3) | 0.036 (2) | 0.053 (3) | 0.001 (2) | −0.006 (2) | −0.002 (2) |
| C27 | 0.048 (3) | 0.060 (3) | 0.066 (3) | 0.002 (3) | −0.003 (3) | 0.003 (2) |
| C28 | 0.044 (3) | 0.059 (3) | 0.098 (4) | 0.006 (2) | −0.001 (3) | 0.000 (3) |
| C29 | 0.056 (4) | 0.071 (4) | 0.085 (4) | 0.003 (3) | 0.017 (3) | 0.001 (3) |
| C30 | 0.061 (3) | 0.055 (3) | 0.058 (3) | −0.005 (3) | 0.009 (3) | −0.001 (2) |
| C31 | 0.078 (5) | 0.112 (5) | 0.086 (5) | 0.005 (4) | 0.013 (4) | −0.001 (4) |
| C32 | 0.072 (4) | 0.095 (5) | 0.072 (4) | 0.001 (4) | 0.000 (3) | 0.008 (4) |
| C33 | 0.088 (5) | 0.107 (6) | 0.068 (4) | 0.001 (4) | 0.002 (4) | −0.021 (4) |
| C34 | 0.075 (5) | 0.114 (7) | 0.096 (5) | −0.006 (4) | −0.007 (4) | 0.008 (5) |
| C35 | 0.082 (4) | 0.056 (4) | 0.068 (3) | −0.003 (3) | 0.002 (3) | 0.014 (3) |
| C36 | 0.069 (4) | 0.060 (3) | 0.053 (3) | −0.006 (3) | −0.001 (3) | 0.011 (3) |
| C37 | 0.081 (4) | 0.102 (5) | 0.072 (4) | −0.003 (4) | −0.011 (3) | 0.024 (3) |
| C38 | 0.065 (4) | 0.067 (4) | 0.056 (3) | −0.009 (3) | 0.005 (3) | −0.007 (3) |
| Co1—N2 | 1.858 (3) | C10—C11 | 1.463 (5) |
| Co1—N5 | 1.894 (3) | C11—C12 | 1.384 (5) |
| Co1—N1 | 2.011 (3) | C12—C13 | 1.377 (6) |
| Co1—N3 | 2.012 (3) | C12—H12 | 0.9300 |
| Co1—N4 | 2.131 (3) | C13—C14 | 1.368 (5) |
| Co1—N6 | 2.139 (3) | C13—H13 | 0.9300 |
| N1—C1 | 1.339 (5) | C14—C15 | 1.370 (5) |
| N1—C5 | 1.350 (5) | C14—H14 | 0.9300 |
| N2—C6 | 1.341 (5) | C15—H15 | 0.9300 |
| N2—C10 | 1.342 (4) | C16—C17 | 1.370 (5) |
| N3—C15 | 1.337 (5) | C16—H16 | 0.9300 |
| N3—C11 | 1.342 (4) | C17—C18 | 1.363 (5) |
| N4—C16 | 1.334 (4) | C17—H17 | 0.9300 |
| N4—C20 | 1.346 (4) | C18—C19 | 1.371 (5) |
| N5—C21 | 1.346 (4) | C18—H18 | 0.9300 |
| N5—C25 | 1.354 (4) | C19—C20 | 1.376 (5) |
| N6—C30 | 1.326 (5) | C19—H19 | 0.9300 |
| N6—C26 | 1.350 (4) | C20—C21 | 1.473 (5) |
| N7—C31 | 1.155 (6) | C21—C22 | 1.379 (5) |
| N8—C33 | 1.176 (7) | C22—C23 | 1.375 (5) |
| N9—C34 | 1.146 (7) | C22—H22 | 0.9300 |
| N10—C35 | 1.139 (6) | C23—C24 | 1.368 (5) |
| N11—C37 | 1.144 (6) | C23—H23 | 0.9300 |
| N12—C38 | 1.141 (5) | C24—C25 | 1.379 (5) |
| C1—C2 | 1.376 (6) | C24—H24 | 0.9300 |
| C1—H1 | 0.9300 | C25—C26 | 1.466 (5) |
| C2—C3 | 1.365 (6) | C26—C27 | 1.377 (5) |
| C2—H2 | 0.9300 | C27—C28 | 1.372 (5) |
| C3—C4 | 1.371 (5) | C27—H27 | 0.9300 |
| C3—H3 | 0.9300 | C28—C29 | 1.378 (5) |
| C4—C5 | 1.371 (5) | C28—H28 | 0.9300 |
| C4—H4 | 0.9300 | C29—C30 | 1.377 (6) |
| C5—C6 | 1.466 (5) | C29—H29 | 0.9300 |
| C6—C7 | 1.380 (5) | C30—H30 | 0.9300 |
| C7—C8 | 1.385 (6) | C31—C32 | 1.400 (7) |
| C7—H7 | 0.9300 | C32—C34 | 1.327 (8) |
| C8—C9 | 1.370 (6) | C32—C33 | 1.382 (7) |
| C8—H8 | 0.9300 | C35—C36 | 1.396 (6) |
| C9—C10 | 1.381 (5) | C36—C37 | 1.389 (7) |
| C9—H9 | 0.9300 | C36—C38 | 1.423 (6) |
| N2—Co1—N5 | 178.48 (14) | C11—C12—H12 | 120.2 |
| N2—Co1—N1 | 80.96 (14) | C14—C13—C12 | 119.1 (4) |
| N5—Co1—N1 | 99.85 (13) | C14—C13—H13 | 120.5 |
| N2—Co1—N3 | 81.07 (14) | C12—C13—H13 | 120.5 |
| N5—Co1—N3 | 98.11 (13) | C13—C14—C15 | 118.4 (4) |
| N1—Co1—N3 | 162.03 (14) | C13—C14—H14 | 120.8 |
| N2—Co1—N4 | 99.46 (14) | C15—C14—H14 | 120.8 |
| N5—Co1—N4 | 79.28 (14) | N3—C15—C14 | 123.6 (4) |
| N1—Co1—N4 | 90.45 (12) | N3—C15—H15 | 118.2 |
| N3—Co1—N4 | 92.38 (12) | C14—C15—H15 | 118.2 |
| N2—Co1—N6 | 101.91 (13) | N4—C16—C17 | 122.8 (4) |
| N5—Co1—N6 | 79.36 (13) | N4—C16—H16 | 118.6 |
| N1—Co1—N6 | 92.19 (12) | C17—C16—H16 | 118.6 |
| N3—Co1—N6 | 91.61 (12) | C18—C17—C16 | 118.9 (4) |
| N4—Co1—N6 | 158.61 (13) | C18—C17—H17 | 120.6 |
| C1—N1—C5 | 118.3 (4) | C16—C17—H17 | 120.6 |
| C1—N1—Co1 | 128.3 (3) | C17—C18—C19 | 119.3 (4) |
| C5—N1—Co1 | 113.5 (3) | C17—C18—H18 | 120.4 |
| C6—N2—C10 | 121.0 (3) | C19—C18—H18 | 120.4 |
| C6—N2—Co1 | 119.7 (3) | C18—C19—C20 | 119.3 (4) |
| C10—N2—Co1 | 119.2 (3) | C18—C19—H19 | 120.4 |
| C15—N3—C11 | 118.0 (3) | C20—C19—H19 | 120.4 |
| C15—N3—Co1 | 128.6 (3) | N4—C20—C19 | 121.6 (4) |
| C11—N3—Co1 | 113.4 (3) | N4—C20—C21 | 114.4 (4) |
| C16—N4—C20 | 118.1 (4) | C19—C20—C21 | 123.9 (4) |
| C16—N4—Co1 | 129.9 (3) | N5—C21—C22 | 121.5 (4) |
| C20—N4—Co1 | 112.0 (3) | N5—C21—C20 | 113.8 (4) |
| C21—N5—C25 | 119.3 (3) | C22—C21—C20 | 124.7 (4) |
| C21—N5—Co1 | 120.5 (3) | C23—C22—C21 | 118.6 (4) |
| C25—N5—Co1 | 120.2 (3) | C23—C22—H22 | 120.7 |
| C30—N6—C26 | 118.3 (4) | C21—C22—H22 | 120.7 |
| C30—N6—Co1 | 130.1 (3) | C24—C23—C22 | 120.5 (4) |
| C26—N6—Co1 | 111.6 (3) | C24—C23—H23 | 119.7 |
| N1—C1—C2 | 122.4 (4) | C22—C23—H23 | 119.7 |
| N1—C1—H1 | 118.8 | C23—C24—C25 | 118.6 (4) |
| C2—C1—H1 | 118.8 | C23—C24—H24 | 120.7 |
| C3—C2—C1 | 118.8 (5) | C25—C24—H24 | 120.7 |
| C3—C2—H2 | 120.6 | N5—C25—C24 | 121.3 (4) |
| C1—C2—H2 | 120.6 | N5—C25—C26 | 114.0 (4) |
| C2—C3—C4 | 119.6 (5) | C24—C25—C26 | 124.7 (4) |
| C2—C3—H3 | 120.2 | N6—C26—C27 | 121.5 (4) |
| C4—C3—H3 | 120.2 | N6—C26—C25 | 114.7 (4) |
| C5—C4—C3 | 119.2 (5) | C27—C26—C25 | 123.8 (4) |
| C5—C4—H4 | 120.4 | C28—C27—C26 | 119.3 (4) |
| C3—C4—H4 | 120.4 | C28—C27—H27 | 120.4 |
| N1—C5—C4 | 121.7 (4) | C26—C27—H27 | 120.4 |
| N1—C5—C6 | 113.4 (4) | C27—C28—C29 | 119.7 (4) |
| C4—C5—C6 | 124.9 (4) | C27—C28—H28 | 120.1 |
| N2—C6—C7 | 120.4 (4) | C29—C28—H28 | 120.1 |
| N2—C6—C5 | 112.4 (4) | C30—C29—C28 | 117.7 (4) |
| C7—C6—C5 | 127.1 (4) | C30—C29—H29 | 121.2 |
| C6—C7—C8 | 118.9 (4) | C28—C29—H29 | 121.2 |
| C6—C7—H7 | 120.5 | N6—C30—C29 | 123.5 (4) |
| C8—C7—H7 | 120.5 | N6—C30—H30 | 118.2 |
| C9—C8—C7 | 120.0 (4) | C29—C30—H30 | 118.2 |
| C9—C8—H8 | 120.0 | N7—C31—C32 | 178.0 (7) |
| C7—C8—H8 | 120.0 | C34—C32—C33 | 117.9 (6) |
| C8—C9—C10 | 119.0 (4) | C34—C32—C31 | 121.7 (6) |
| C8—C9—H9 | 120.5 | C33—C32—C31 | 120.3 (6) |
| C10—C9—H9 | 120.5 | N8—C33—C32 | 178.5 (7) |
| N2—C10—C9 | 120.7 (4) | N9—C34—C32 | 179.3 (8) |
| N2—C10—C11 | 112.7 (4) | N10—C35—C36 | 178.2 (6) |
| C9—C10—C11 | 126.6 (4) | C37—C36—C35 | 119.5 (4) |
| N3—C11—C12 | 121.4 (4) | C37—C36—C38 | 119.6 (5) |
| N3—C11—C10 | 113.6 (4) | C35—C36—C38 | 120.8 (4) |
| C12—C11—C10 | 125.0 (4) | N11—C37—C36 | 179.2 (8) |
| C13—C12—C11 | 119.5 (4) | N12—C38—C36 | 179.2 (6) |
| C13—C12—H12 | 120.2 |
| H··· | ||||
| C4—H4···N7 | 0.93 | 2.74 | 3.589 (7) | 153 |
| C8—H8···N9 | 0.93 | 2.71 | 3.347 (8) | 126 |
| C15—H15···N11 | 0.93 | 2.55 | 3.254 (6) | 133 |
| C1—H1···N12i | 0.93 | 2.85 | 3.598 (6) | 138 |
| C23—H23···N11i | 0.93 | 2.89 | 3.622 (6) | 136 |
| C2—H2···N10ii | 0.93 | 2.77 | 3.670 (7) | 164 |
| C29—H29···N9iii | 0.93 | 2.85 | 3.560 (8) | 134 |
| C17—H17···N8iv | 0.93 | 2.65 | 3.395 (7) | 137 |
| C13—H13···N8v | 0.93 | 2.65 | 3.379 (7) | 136 |
| C18—H18···N12vi | 0.93 | 2.69 | 3.403 (6) | 134 |
| C22—H22···N10vi | 0.93 | 2.51 | 3.231 (6) | 134 |
| C19—H19···N12vii | 0.93 | 2.96 | 3.679 (6) | 135 |
| C22—H22···N12vii | 0.93 | 2.92 | 3.645 (6) | 136 |
| C24—H24···N10viii | 0.93 | 2.67 | 3.548 (6) | 158 |
| C27—H27···N10viii | 0.93 | 2.57 | 3.350 (6) | 142 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| C4—H4⋯N7 | 0.93 | 2.74 | 3.589 (7) | 153 |
| C8—H8⋯N9 | 0.93 | 2.71 | 3.347 (8) | 126 |
| C15—H15⋯N11 | 0.93 | 2.55 | 3.254 (6) | 133 |
| C1—H1⋯N12i | 0.93 | 2.85 | 3.598 (6) | 138 |
| C23—H23⋯N11i | 0.93 | 2.89 | 3.622 (6) | 136 |
| C2—H2⋯N10ii | 0.93 | 2.77 | 3.670 (7) | 164 |
| C29—H29⋯N9iii | 0.93 | 2.85 | 3.560 (8) | 134 |
| C17—H17⋯N8iv | 0.93 | 2.65 | 3.395 (7) | 137 |
| C13—H13⋯N8v | 0.93 | 2.65 | 3.379 (7) | 136 |
| C18—H18⋯N12vi | 0.93 | 2.69 | 3.403 (6) | 134 |
| C22—H22⋯N10vi | 0.93 | 2.51 | 3.231 (6) | 134 |
| C19—H19⋯N12vii | 0.93 | 2.96 | 3.679 (6) | 135 |
| C22—H22⋯N12vii | 0.93 | 2.92 | 3.645 (6) | 136 |
| C24—H24⋯N10viii | 0.93 | 2.67 | 3.548 (6) | 158 |
| C27—H27⋯N10viii | 0.93 | 2.57 | 3.350 (6) | 142 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) ; (viii) .