| Literature DB >> 22590113 |
Arnaud Gilles1, Mihail Barboiu, Yves-Marie Legrand, Arie van Lee.
Abstract
In the title compound, [Na(2)(Entities:
Year: 2012 PMID: 22590113 PMCID: PMC3344347 DOI: 10.1107/S1600536812015590
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Na2(N3)2(C21H34N2O6)2]·2CHCl3 | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 3569 reflections | |
| θ = 2.1–29.0° | |
| µ = 0.38 mm−1 | |
| α = 82.320 (3)° | |
| β = 83.459 (3)° | Needle, colourless |
| γ = 87.784 (3)° | 0.45 × 0.20 × 0.03 mm |
| Agilent Xcalibur Sapphire-3 CCD Gemini diffractometer | 6470 independent reflections |
| Radiation source: Enhance (Mo) X-ray Source | 5176 reflections with |
| Graphite monochromator | |
| Detector resolution: 16.0143 pixels mm-1 | θmax = 29.1°, θmin = 2.1° |
| ω scans | |
| Absorption correction: multi-scan ( | |
| 11317 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 atoms treated by a mixture of independent and constrained refinement | |
| Modified Sheldrick method | |
| 6470 reflections | (Δ/σ)max < 0.001 |
| 340 parameters | Δρmax = 0.58 e Å−3 |
| 0 restraints | Δρmin = −0.75 e Å−3 |
| Cl1 | 0.29314 (7) | 0.12610 (6) | 0.36316 (4) | 0.0548 | |
| C2 | 0.4561 (2) | 0.23861 (19) | 0.37104 (11) | 0.0356 | |
| Cl3 | 0.36653 (10) | 0.38944 (6) | 0.39926 (4) | 0.0680 | |
| Cl4 | 0.59472 (7) | 0.16173 (6) | 0.43316 (3) | 0.0512 | |
| H21 | 0.5200 | 0.2581 | 0.3235 | 0.0434* | |
| Na5 | 0.68726 (8) | 0.47918 (6) | 0.16960 (4) | 0.0242 | |
| O6 | 0.48814 (15) | 0.33622 (11) | −0.18581 (7) | 0.0285 | |
| C7 | 0.5384 (2) | 0.21761 (16) | −0.18696 (10) | 0.0242 | |
| N8 | 0.5406 (2) | 0.15234 (17) | −0.24686 (9) | 0.0374 | |
| C9 | 0.4602 (3) | 0.20770 (19) | −0.31162 (11) | 0.0355 | |
| C10 | 0.2949 (2) | 0.13728 (18) | −0.31851 (10) | 0.0313 | |
| C11 | 0.2103 (2) | 0.19461 (19) | −0.38655 (10) | 0.0333 | |
| C12 | 0.0434 (3) | 0.1250 (2) | −0.39224 (12) | 0.0389 | |
| C13 | −0.0472 (3) | 0.1801 (2) | −0.45926 (12) | 0.0418 | |
| C14 | −0.1142 (3) | 0.3249 (2) | −0.45882 (13) | 0.0478 | |
| H143 | −0.1799 | 0.3539 | −0.4990 | 0.0713* | |
| H142 | −0.0221 | 0.3863 | −0.4614 | 0.0704* | |
| H141 | −0.1882 | 0.3325 | −0.4137 | 0.0719* | |
| H132 | 0.0331 | 0.1764 | −0.5028 | 0.0512* | |
| H131 | −0.1463 | 0.1226 | −0.4624 | 0.0506* | |
| H122 | −0.0352 | 0.1330 | −0.3482 | 0.0473* | |
| H121 | 0.0706 | 0.0298 | −0.3933 | 0.0470* | |
| H112 | 0.2902 | 0.1861 | −0.4306 | 0.0398* | |
| H111 | 0.1888 | 0.2919 | −0.3852 | 0.0400* | |
| H102 | 0.2142 | 0.1441 | −0.2755 | 0.0370* | |
| H101 | 0.3182 | 0.0418 | −0.3200 | 0.0371* | |
| H92 | 0.5433 | 0.1998 | −0.3547 | 0.0427* | |
| H91 | 0.4372 | 0.3008 | −0.3078 | 0.0431* | |
| N15 | 0.59760 (19) | 0.13769 (14) | −0.12871 (8) | 0.0269 | |
| C16 | 0.64335 (19) | 0.17637 (15) | −0.06340 (9) | 0.0214 | |
| C17 | 0.6957 (2) | 0.07199 (15) | −0.01212 (10) | 0.0249 | |
| C18 | 0.7524 (2) | 0.10018 (15) | 0.05227 (9) | 0.0258 | |
| C19 | 0.7575 (2) | 0.23293 (15) | 0.06711 (9) | 0.0218 | |
| O20 | 0.82203 (15) | 0.27206 (11) | 0.12686 (6) | 0.0260 | |
| C21 | 0.8591 (3) | 0.16670 (17) | 0.18375 (10) | 0.0334 | |
| C22 | 0.9369 (3) | 0.23127 (19) | 0.24011 (11) | 0.0349 | |
| O23 | 0.81354 (16) | 0.32292 (13) | 0.27110 (7) | 0.0309 | |
| C24 | 0.8829 (3) | 0.3975 (2) | 0.32158 (10) | 0.0346 | |
| C25 | 1.0045 (2) | 0.50500 (19) | 0.28352 (10) | 0.0335 | |
| O26 | 0.91448 (15) | 0.58835 (12) | 0.23138 (7) | 0.0299 | |
| C27 | 1.0246 (2) | 0.68301 (18) | 0.18535 (10) | 0.0306 | |
| C28 | 0.9298 (2) | 0.74580 (16) | 0.12253 (10) | 0.0268 | |
| O29 | 0.89393 (14) | 0.64030 (11) | 0.08208 (6) | 0.0247 | |
| C30 | 0.8041 (2) | 0.68851 (15) | 0.02080 (9) | 0.0224 | |
| C31 | 0.7725 (2) | 0.57005 (15) | −0.01825 (9) | 0.0220 | |
| O32 | 0.69444 (14) | 0.46654 (10) | 0.03651 (6) | 0.0217 | |
| C33 | 0.69806 (19) | 0.33699 (14) | 0.01680 (9) | 0.0193 | |
| C34 | 0.64267 (19) | 0.31041 (15) | −0.04782 (9) | 0.0209 | |
| H341 | 0.6064 | 0.3812 | −0.0801 | 0.0243* | |
| H311 | 0.8789 | 0.5349 | −0.0418 | 0.0259* | |
| H312 | 0.6931 | 0.5978 | −0.0562 | 0.0255* | |
| H302 | 0.6927 | 0.7308 | 0.0380 | 0.0260* | |
| H301 | 0.8754 | 0.7532 | −0.0129 | 0.0261* | |
| H282 | 0.9976 | 0.8153 | 0.0910 | 0.0316* | |
| H281 | 0.8213 | 0.7896 | 0.1414 | 0.0311* | |
| H272 | 1.1304 | 0.6344 | 0.1671 | 0.0363* | |
| H271 | 1.0565 | 0.7540 | 0.2137 | 0.0370* | |
| H252 | 1.1098 | 0.4676 | 0.2585 | 0.0386* | |
| H251 | 1.0413 | 0.5567 | 0.3199 | 0.0395* | |
| H242 | 0.9400 | 0.3365 | 0.3574 | 0.0420* | |
| H241 | 0.7839 | 0.4424 | 0.3465 | 0.0405* | |
| H222 | 0.9731 | 0.1600 | 0.2775 | 0.0429* | |
| H221 | 1.0366 | 0.2786 | 0.2178 | 0.0406* | |
| H212 | 0.7521 | 0.1202 | 0.2038 | 0.0389* | |
| H211 | 0.9414 | 0.1031 | 0.1638 | 0.0403* | |
| H181 | 0.7864 | 0.0271 | 0.0860 | 0.0310* | |
| H171 | 0.6928 | −0.0178 | −0.0217 | 0.0294* | |
| N35 | 0.4334 (2) | 0.33243 (16) | 0.19341 (10) | 0.0391 | |
| N36 | 0.38153 (18) | 0.22991 (14) | 0.18164 (8) | 0.0282 | |
| N37 | 0.3246 (3) | 0.12827 (17) | 0.17006 (11) | 0.0481 | |
| H81 | 0.575 (3) | 0.072 (3) | −0.2411 (14) | 0.0500* | |
| H151 | 0.620 (3) | 0.054 (3) | −0.1333 (14) | 0.0500* |
| Cl1 | 0.0435 (3) | 0.0650 (4) | 0.0582 (4) | −0.0145 (3) | −0.0086 (3) | −0.0103 (3) |
| C2 | 0.0341 (10) | 0.0398 (10) | 0.0324 (10) | 0.0002 (7) | −0.0050 (8) | −0.0023 (8) |
| Cl3 | 0.0774 (5) | 0.0451 (3) | 0.0827 (5) | 0.0180 (3) | −0.0132 (4) | −0.0146 (3) |
| Cl4 | 0.0505 (3) | 0.0560 (3) | 0.0489 (3) | 0.0066 (2) | −0.0208 (2) | −0.0026 (2) |
| Na5 | 0.0251 (3) | 0.0210 (3) | 0.0265 (3) | 0.0023 (2) | −0.0035 (3) | −0.0037 (2) |
| O6 | 0.0289 (6) | 0.0231 (6) | 0.0352 (7) | 0.0056 (4) | −0.0089 (5) | −0.0076 (5) |
| C7 | 0.0184 (7) | 0.0236 (8) | 0.0321 (9) | −0.0002 (6) | −0.0042 (6) | −0.0074 (6) |
| N8 | 0.0505 (10) | 0.0286 (8) | 0.0380 (9) | 0.0108 (7) | −0.0195 (8) | −0.0134 (7) |
| C9 | 0.0438 (11) | 0.0340 (9) | 0.0313 (10) | −0.0015 (8) | −0.0114 (8) | −0.0070 (7) |
| C10 | 0.0341 (10) | 0.0335 (9) | 0.0264 (9) | 0.0031 (7) | −0.0035 (7) | −0.0054 (7) |
| C11 | 0.0371 (10) | 0.0356 (10) | 0.0279 (9) | 0.0000 (7) | −0.0082 (8) | −0.0036 (7) |
| C12 | 0.0429 (11) | 0.0351 (10) | 0.0400 (11) | −0.0029 (8) | −0.0135 (9) | −0.0016 (8) |
| C13 | 0.0465 (12) | 0.0432 (11) | 0.0391 (11) | −0.0019 (9) | −0.0163 (9) | −0.0080 (8) |
| C14 | 0.0553 (14) | 0.0410 (11) | 0.0503 (13) | 0.0002 (9) | −0.0238 (11) | −0.0032 (9) |
| N15 | 0.0322 (8) | 0.0185 (6) | 0.0325 (8) | 0.0029 (5) | −0.0095 (6) | −0.0083 (5) |
| C16 | 0.0166 (7) | 0.0198 (7) | 0.0281 (9) | 0.0000 (5) | −0.0013 (6) | −0.0052 (6) |
| C17 | 0.0255 (8) | 0.0154 (7) | 0.0342 (9) | −0.0003 (6) | −0.0029 (7) | −0.0045 (6) |
| C18 | 0.0290 (9) | 0.0175 (7) | 0.0297 (9) | 0.0023 (6) | −0.0040 (7) | 0.0015 (6) |
| C19 | 0.0211 (7) | 0.0207 (7) | 0.0230 (8) | 0.0011 (5) | −0.0013 (6) | −0.0018 (6) |
| O20 | 0.0355 (6) | 0.0193 (5) | 0.0235 (6) | 0.0033 (4) | −0.0085 (5) | −0.0009 (4) |
| C21 | 0.0457 (11) | 0.0228 (8) | 0.0319 (10) | 0.0072 (7) | −0.0139 (8) | 0.0017 (7) |
| C22 | 0.0406 (10) | 0.0310 (9) | 0.0346 (10) | 0.0115 (7) | −0.0151 (8) | −0.0040 (7) |
| O23 | 0.0302 (6) | 0.0373 (7) | 0.0258 (6) | 0.0011 (5) | −0.0063 (5) | −0.0045 (5) |
| C24 | 0.0383 (10) | 0.0424 (10) | 0.0245 (9) | 0.0026 (8) | −0.0078 (7) | −0.0063 (7) |
| C25 | 0.0298 (9) | 0.0417 (10) | 0.0319 (10) | 0.0023 (7) | −0.0114 (7) | −0.0091 (8) |
| O26 | 0.0224 (6) | 0.0370 (7) | 0.0298 (7) | −0.0016 (5) | −0.0035 (5) | −0.0024 (5) |
| C27 | 0.0218 (8) | 0.0374 (9) | 0.0337 (10) | −0.0064 (7) | −0.0013 (7) | −0.0087 (7) |
| C28 | 0.0229 (8) | 0.0242 (8) | 0.0346 (10) | −0.0043 (6) | −0.0005 (7) | −0.0092 (7) |
| O29 | 0.0251 (6) | 0.0207 (5) | 0.0300 (6) | 0.0021 (4) | −0.0068 (5) | −0.0069 (4) |
| C30 | 0.0213 (8) | 0.0167 (7) | 0.0287 (9) | 0.0009 (5) | −0.0020 (6) | −0.0017 (6) |
| C31 | 0.0258 (8) | 0.0173 (7) | 0.0218 (8) | 0.0005 (5) | −0.0017 (6) | 0.0003 (6) |
| O32 | 0.0287 (6) | 0.0140 (5) | 0.0221 (6) | 0.0003 (4) | −0.0011 (4) | −0.0023 (4) |
| C33 | 0.0178 (7) | 0.0154 (7) | 0.0240 (8) | 0.0013 (5) | 0.0005 (6) | −0.0030 (5) |
| C34 | 0.0174 (7) | 0.0179 (7) | 0.0270 (8) | 0.0022 (5) | −0.0023 (6) | −0.0025 (6) |
| N35 | 0.0396 (9) | 0.0360 (9) | 0.0428 (10) | −0.0108 (7) | −0.0045 (7) | −0.0059 (7) |
| N36 | 0.0255 (7) | 0.0263 (7) | 0.0318 (8) | 0.0053 (5) | −0.0007 (6) | −0.0041 (6) |
| N37 | 0.0555 (11) | 0.0273 (8) | 0.0625 (13) | −0.0011 (7) | 0.0042 (9) | −0.0189 (8) |
| Cl1—C2 | 1.758 (2) | C17—H171 | 0.934 |
| C2—Cl3 | 1.747 (2) | C18—C19 | 1.385 (2) |
| C2—Cl4 | 1.751 (2) | C18—H181 | 0.943 |
| C2—H21 | 0.962 | C19—O20 | 1.374 (2) |
| Na5—O6i | 2.2786 (12) | C19—C33 | 1.399 (2) |
| Na5—O20 | 2.4592 (12) | O20—C21 | 1.4284 (19) |
| Na5—O23 | 2.5380 (14) | C21—C22 | 1.492 (3) |
| Na5—O26 | 2.5658 (13) | C21—H212 | 0.981 |
| Na5—O29 | 2.5902 (13) | C21—H211 | 0.963 |
| Na5—O32 | 2.4790 (13) | C22—O23 | 1.426 (2) |
| Na5—N35 | 2.4718 (17) | C22—H222 | 0.979 |
| O6—C7 | 1.2298 (19) | C22—H221 | 0.950 |
| C7—N8 | 1.356 (2) | O23—C24 | 1.432 (2) |
| C7—N15 | 1.365 (2) | C24—C25 | 1.505 (3) |
| N8—C9 | 1.450 (2) | C24—H242 | 0.973 |
| N8—H81 | 0.83 (2) | C24—H241 | 0.979 |
| C9—C10 | 1.519 (3) | C25—O26 | 1.417 (2) |
| C9—H92 | 0.979 | C25—H252 | 0.983 |
| C9—H91 | 0.946 | C25—H251 | 0.973 |
| C10—C11 | 1.522 (2) | O26—C27 | 1.426 (2) |
| C10—H102 | 0.966 | C27—C28 | 1.503 (3) |
| C10—H101 | 0.963 | C27—H272 | 0.990 |
| C11—C12 | 1.521 (3) | C27—H271 | 0.989 |
| C11—H112 | 0.980 | C28—O29 | 1.4209 (19) |
| C11—H111 | 0.978 | C28—H282 | 0.974 |
| C12—C13 | 1.526 (3) | C28—H281 | 0.988 |
| C12—H122 | 0.975 | O29—C30 | 1.4216 (19) |
| C12—H121 | 0.964 | C30—C31 | 1.503 (2) |
| C13—C14 | 1.513 (3) | C30—H302 | 0.990 |
| C13—H132 | 0.967 | C30—H301 | 0.977 |
| C13—H131 | 0.992 | C31—O32 | 1.4446 (18) |
| C14—H143 | 0.959 | C31—H311 | 0.969 |
| C14—H142 | 0.954 | C31—H312 | 0.995 |
| C14—H141 | 0.970 | O32—C33 | 1.3823 (17) |
| N15—C16 | 1.404 (2) | C33—C34 | 1.379 (2) |
| N15—H151 | 0.86 (2) | C34—H341 | 0.918 |
| C16—C17 | 1.392 (2) | N35—N36 | 1.166 (2) |
| C16—C34 | 1.399 (2) | N36—N37 | 1.174 (2) |
| C17—C18 | 1.384 (2) | ||
| Cl1—C2—Cl3 | 110.46 (11) | C18—C17—H171 | 120.1 |
| Cl1—C2—Cl4 | 109.86 (11) | C17—C18—C19 | 120.63 (15) |
| Cl3—C2—Cl4 | 110.45 (11) | C17—C18—H181 | 118.6 |
| Cl1—C2—H21 | 107.5 | C19—C18—H181 | 120.7 |
| Cl3—C2—H21 | 109.4 | C18—C19—O20 | 125.05 (14) |
| Cl4—C2—H21 | 109.1 | C18—C19—C33 | 118.40 (15) |
| O6i—Na5—O20 | 164.07 (5) | O20—C19—C33 | 116.52 (13) |
| O6i—Na5—O23 | 125.34 (5) | Na5—O20—C19 | 114.99 (9) |
| O20—Na5—O23 | 67.50 (4) | Na5—O20—C21 | 114.92 (10) |
| O6i—Na5—O26 | 88.32 (4) | C19—O20—C21 | 116.83 (12) |
| O20—Na5—O26 | 106.72 (4) | O20—C21—C22 | 107.44 (14) |
| O23—Na5—O26 | 65.51 (4) | O20—C21—H212 | 109.0 |
| O6i—Na5—O29 | 87.68 (4) | C22—C21—H212 | 112.3 |
| O20—Na5—O29 | 93.92 (4) | O20—C21—H211 | 109.2 |
| O23—Na5—O29 | 117.85 (4) | C22—C21—H211 | 109.0 |
| O26—Na5—O29 | 64.89 (4) | H212—C21—H211 | 109.9 |
| O6i—Na5—O32 | 102.87 (5) | C21—C22—O23 | 109.09 (15) |
| O20—Na5—O32 | 64.24 (4) | C21—C22—H222 | 108.9 |
| O23—Na5—O32 | 131.59 (4) | O23—C22—H222 | 111.5 |
| O26—Na5—O32 | 125.91 (4) | C21—C22—H221 | 109.3 |
| O29—Na5—O32 | 62.98 (4) | O23—C22—H221 | 110.2 |
| O6i—Na5—N35 | 89.71 (5) | H222—C22—H221 | 107.7 |
| O20—Na5—N35 | 81.26 (5) | C22—O23—Na5 | 109.80 (10) |
| O23—Na5—N35 | 86.68 (5) | C22—O23—C24 | 112.56 (14) |
| O26—Na5—N35 | 143.72 (6) | Na5—O23—C24 | 111.84 (10) |
| O29—Na5—N35 | 151.19 (6) | O23—C24—C25 | 112.33 (15) |
| O32—Na5—N35 | 89.77 (5) | O23—C24—H242 | 110.7 |
| Na5i—O6—C7 | 161.14 (11) | C25—C24—H242 | 110.3 |
| O6—C7—N8 | 123.10 (16) | O23—C24—H241 | 105.6 |
| O6—C7—N15 | 124.07 (15) | C25—C24—H241 | 108.4 |
| N8—C7—N15 | 112.83 (14) | H242—C24—H241 | 109.4 |
| C7—N8—C9 | 123.28 (16) | C24—C25—O26 | 107.30 (14) |
| C7—N8—H81 | 114.7 (18) | C24—C25—H252 | 113.3 |
| C9—N8—H81 | 121.2 (18) | O26—C25—H252 | 109.3 |
| N8—C9—C10 | 112.91 (16) | C24—C25—H251 | 108.9 |
| N8—C9—H92 | 108.2 | O26—C25—H251 | 111.7 |
| C10—C9—H92 | 110.2 | H252—C25—H251 | 106.4 |
| N8—C9—H91 | 106.4 | C25—O26—Na5 | 118.39 (10) |
| C10—C9—H91 | 110.2 | C25—O26—C27 | 111.97 (13) |
| H92—C9—H91 | 108.9 | Na5—O26—C27 | 116.52 (10) |
| C9—C10—C11 | 113.14 (16) | O26—C27—C28 | 108.37 (13) |
| C9—C10—H102 | 109.7 | O26—C27—H272 | 109.0 |
| C11—C10—H102 | 109.3 | C28—C27—H272 | 110.5 |
| C9—C10—H101 | 109.7 | O26—C27—H271 | 109.7 |
| C11—C10—H101 | 108.4 | C28—C27—H271 | 110.2 |
| H102—C10—H101 | 106.3 | H272—C27—H271 | 109.0 |
| C10—C11—C12 | 112.71 (16) | C27—C28—O29 | 107.72 (13) |
| C10—C11—H112 | 109.9 | C27—C28—H282 | 111.4 |
| C12—C11—H112 | 109.3 | O29—C28—H282 | 110.2 |
| C10—C11—H111 | 108.1 | C27—C28—H281 | 109.9 |
| C12—C11—H111 | 110.2 | O29—C28—H281 | 110.0 |
| H112—C11—H111 | 106.5 | H282—C28—H281 | 107.6 |
| C11—C12—C13 | 114.65 (17) | C28—O29—Na5 | 106.07 (9) |
| C11—C12—H122 | 109.0 | C28—O29—C30 | 112.59 (12) |
| C13—C12—H122 | 108.9 | Na5—O29—C30 | 106.28 (9) |
| C11—C12—H121 | 107.3 | O29—C30—C31 | 108.55 (12) |
| C13—C12—H121 | 109.3 | O29—C30—H302 | 109.4 |
| H122—C12—H121 | 107.4 | C31—C30—H302 | 109.7 |
| C12—C13—C14 | 113.81 (17) | O29—C30—H301 | 109.2 |
| C12—C13—H132 | 108.7 | C31—C30—H301 | 108.5 |
| C14—C13—H132 | 108.2 | H302—C30—H301 | 111.3 |
| C12—C13—H131 | 109.8 | C30—C31—O32 | 106.77 (12) |
| C14—C13—H131 | 107.7 | C30—C31—H311 | 111.4 |
| H132—C13—H131 | 108.4 | O32—C31—H311 | 109.9 |
| C13—C14—H143 | 112.0 | C30—C31—H312 | 110.3 |
| C13—C14—H142 | 111.2 | O32—C31—H312 | 109.9 |
| H143—C14—H142 | 108.0 | H311—C31—H312 | 108.6 |
| C13—C14—H141 | 109.7 | C31—O32—Na5 | 122.13 (9) |
| H143—C14—H141 | 108.0 | C31—O32—C33 | 115.81 (11) |
| H142—C14—H141 | 107.8 | Na5—O32—C33 | 115.59 (9) |
| C7—N15—C16 | 128.58 (14) | C19—C33—O32 | 116.18 (14) |
| C7—N15—H151 | 117.3 (17) | C19—C33—C34 | 121.49 (13) |
| C16—N15—H151 | 113.8 (17) | O32—C33—C34 | 122.31 (13) |
| N15—C16—C17 | 116.26 (14) | C16—C34—C33 | 119.62 (14) |
| N15—C16—C34 | 124.69 (15) | C16—C34—H341 | 121.0 |
| C17—C16—C34 | 119.04 (15) | C33—C34—H341 | 119.3 |
| C16—C17—C18 | 120.72 (14) | Na5—N35—N36 | 143.11 (14) |
| C16—C17—H171 | 119.2 | N35—N36—N37 | 178.08 (19) |
| H··· | ||||
| C2—H21···O23 | 0.96 | 2.46 | 3.244 (3) | 138 |
| C2—H21···N35 | 0.96 | 2.58 | 3.320 (3) | 134 |
| N8—H81···N37ii | 0.83 (2) | 2.39 (3) | 3.156 (3) | 154 (2) |
| N15—H151···N37ii | 0.86 (2) | 2.03 (2) | 2.872 (3) | 166 (2) |
| C31—H311···O29iii | 0.97 | 2.56 | 3.479 (3) | 159 |
| C28—H281··· | 0.99 | 2.79 | 3.507 (2) | 131 |
Hydrogen-bond geometry (Å, °)
Cg is the centroid of the C16–C19/C33/C34 ring.
| H⋯ | ||||
|---|---|---|---|---|
| C2—H21⋯O23 | 0.96 | 2.46 | 3.244 (3) | 138 |
| C2—H21⋯N35 | 0.96 | 2.58 | 3.320 (3) | 134 |
| N8—H81⋯N37i | 0.83 (2) | 2.39 (3) | 3.156 (3) | 154 (2) |
| N15—H151⋯N37i | 0.86 (2) | 2.03 (2) | 2.872 (3) | 166 (2) |
| C31—H311⋯O29ii | 0.97 | 2.56 | 3.479 (3) | 159 |
| C28—H281⋯ | 0.99 | 2.79 | 3.507 (2) | 131 |
Symmetry codes: (i) ; (ii) .