| Literature DB >> 22590174 |
Hui-Ting Song, Jia-Wei Mao, Ming Liu, Zhi-Quan Pan.
Abstract
In the title solvated mol-ecular salt, [CuCl(C(28)H(30)N(4))]ClO(4)·CH(3)OH, the Cu(2+) ion is coordinated by the N,N',N'',N'''-tetra-dentate ligand and a chloride ion, generating a very distorted square-based pyramidal CuN(4)Cl coordination geometry with the Cl(-) ion in the basal position. In the crystal, the solvent mol-ecules and anions are linked by weak O-H⋯O hydrogen bonding.Entities:
Year: 2012 PMID: 22590174 PMCID: PMC3344412 DOI: 10.1107/S1600536812017941
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [CuCl(C28H30N4)]ClO4·CH4O | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 4897 reflections |
| θ = 2.2–24.4° | |
| µ = 0.95 mm−1 | |
| β = 118.374 (1)° | Block, blue |
| 0.28 × 0.24 × 0.22 mm | |
| Bruker SMART APEX CCD diffractometer | 5885 independent reflections |
| Radiation source: sealed tube | 4329 reflections with |
| Graphite monochromator | |
| phi and ω scans | θmax = 26.0°, θmin = 2.2° |
| Absorption correction: multi-scan ( | |
| 16310 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 | |
| 5885 reflections | (Δ/σ)max = 0.001 |
| 372 parameters | Δρmax = 0.24 e Å−3 |
| 0 restraints | Δρmin = −0.36 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 F2 against ALL reflections. The weighted |
| C1 | 0.8517 (2) | −0.0164 (3) | 0.6532 (2) | 0.0510 (8) | |
| H1 | 0.8516 | −0.0832 | 0.6199 | 0.061* | |
| C2 | 0.8816 (2) | −0.0377 (3) | 0.7372 (2) | 0.0506 (8) | |
| H2 | 0.9009 | −0.1173 | 0.7601 | 0.061* | |
| C3 | 0.8824 (2) | 0.0609 (4) | 0.7866 (2) | 0.0529 (9) | |
| H3 | 0.9028 | 0.0492 | 0.8439 | 0.064* | |
| C4 | 0.8530 (2) | 0.1772 (3) | 0.7508 (2) | 0.0476 (8) | |
| H4 | 0.8530 | 0.2451 | 0.7834 | 0.057* | |
| C5 | 0.82358 (18) | 0.1917 (3) | 0.66583 (18) | 0.0356 (6) | |
| C6 | 0.7922 (2) | 0.3167 (3) | 0.62251 (18) | 0.0400 (7) | |
| H6A | 0.7611 | 0.3600 | 0.6469 | 0.048* | |
| H6B | 0.8408 | 0.3688 | 0.6318 | 0.048* | |
| C7 | 0.72963 (18) | 0.4225 (3) | 0.48671 (18) | 0.0364 (6) | |
| H7A | 0.6993 | 0.4058 | 0.4269 | 0.044* | |
| H7B | 0.7869 | 0.4491 | 0.5004 | 0.044* | |
| C8 | 0.68568 (18) | 0.5318 (3) | 0.50492 (18) | 0.0360 (6) | |
| C9 | 0.7309 (2) | 0.6120 (3) | 0.5716 (2) | 0.0436 (7) | |
| H9 | 0.7882 | 0.5960 | 0.6083 | 0.052* | |
| C10 | 0.6910 (2) | 0.7169 (3) | 0.5842 (2) | 0.0499 (8) | |
| H10 | 0.7217 | 0.7699 | 0.6298 | 0.060* | |
| C11 | 0.6071 (2) | 0.7426 (3) | 0.5301 (2) | 0.0515 (8) | |
| H11 | 0.5811 | 0.8134 | 0.5384 | 0.062* | |
| C12 | 0.5617 (2) | 0.6636 (3) | 0.4638 (2) | 0.0542 (9) | |
| H12 | 0.5045 | 0.6803 | 0.4274 | 0.065* | |
| C13 | 0.6003 (2) | 0.5599 (3) | 0.4508 (2) | 0.0441 (7) | |
| H13 | 0.5689 | 0.5074 | 0.4051 | 0.053* | |
| C14 | 0.8694 (2) | −0.0635 (3) | 0.4603 (2) | 0.0523 (8) | |
| H14 | 0.9185 | −0.0147 | 0.4794 | 0.063* | |
| C15 | 0.8721 (2) | −0.1880 (4) | 0.4398 (2) | 0.0550 (9) | |
| H15 | 0.9223 | −0.2235 | 0.4451 | 0.066* | |
| C16 | 0.7996 (2) | −0.2578 (4) | 0.4116 (2) | 0.0547 (9) | |
| H16 | 0.8000 | −0.3424 | 0.3979 | 0.066* | |
| C17 | 0.7244 (2) | −0.2037 (3) | 0.4031 (2) | 0.0512 (8) | |
| H17 | 0.6743 | −0.2506 | 0.3824 | 0.061* | |
| C18 | 0.7261 (2) | −0.0808 (3) | 0.4257 (2) | 0.0440 (7) | |
| C19 | 0.65156 (19) | −0.0122 (3) | 0.4241 (2) | 0.0420 (7) | |
| H19A | 0.5985 | −0.0494 | 0.3823 | 0.050* | |
| H19B | 0.6534 | −0.0185 | 0.4784 | 0.050* | |
| C20 | 0.6269 (2) | 0.1318 (3) | 0.31094 (19) | 0.0419 (7) | |
| H20A | 0.6577 | 0.0699 | 0.2961 | 0.050* | |
| H20B | 0.5667 | 0.1106 | 0.2805 | 0.050* | |
| C21 | 0.63972 (19) | 0.2601 (3) | 0.28309 (18) | 0.0420 (7) | |
| C22 | 0.5718 (2) | 0.3417 (4) | 0.2408 (2) | 0.0567 (9) | |
| H22 | 0.5167 | 0.3152 | 0.2263 | 0.068* | |
| C23 | 0.5853 (2) | 0.4638 (4) | 0.2196 (2) | 0.0579 (9) | |
| H23 | 0.5395 | 0.5188 | 0.1921 | 0.070* | |
| C24 | 0.6649 (3) | 0.5012 (4) | 0.2394 (2) | 0.0601 (10) | |
| H24 | 0.6740 | 0.5822 | 0.2254 | 0.072* | |
| C25 | 0.7326 (2) | 0.4209 (4) | 0.2799 (2) | 0.0561 (9) | |
| H25 | 0.7873 | 0.4473 | 0.2927 | 0.067* | |
| C26 | 0.7200 (2) | 0.3020 (4) | 0.3015 (2) | 0.0498 (8) | |
| H26 | 0.7665 | 0.2484 | 0.3293 | 0.060* | |
| C27 | 0.65133 (19) | 0.2506 (3) | 0.51552 (19) | 0.0402 (7) | |
| H27A | 0.6191 | 0.3162 | 0.5254 | 0.048* | |
| H27B | 0.6598 | 0.1815 | 0.5539 | 0.048* | |
| C28 | 0.60207 (18) | 0.2044 (3) | 0.4264 (2) | 0.0414 (7) | |
| H28A | 0.5526 | 0.1569 | 0.4199 | 0.050* | |
| H28B | 0.5819 | 0.2763 | 0.3887 | 0.050* | |
| C29 | 0.5166 (3) | 0.8830 (4) | 0.1346 (3) | 0.0703 (11) | |
| H29A | 0.4710 | 0.9427 | 0.1070 | 0.105* | |
| H29B | 0.5199 | 0.8293 | 0.0935 | 0.105* | |
| H29C | 0.5695 | 0.9276 | 0.1652 | 0.105* | |
| Cl1 | 0.39157 (5) | 0.94576 (7) | 0.32224 (5) | 0.04209 (18) | |
| Cl2 | 0.90470 (5) | 0.25490 (9) | 0.50649 (6) | 0.0526 (2) | |
| Cu1 | 0.78296 (2) | 0.15945 (3) | 0.49085 (2) | 0.03736 (12) | |
| N1 | 0.82264 (17) | 0.0959 (2) | 0.61692 (16) | 0.0436 (6) | |
| N2 | 0.73604 (15) | 0.3018 (2) | 0.53140 (15) | 0.0349 (5) | |
| N3 | 0.79833 (15) | −0.0104 (2) | 0.45376 (16) | 0.0407 (6) | |
| N4 | 0.65620 (15) | 0.1222 (2) | 0.40350 (15) | 0.0362 (5) | |
| O1 | 0.50092 (17) | 0.8086 (3) | 0.19076 (18) | 0.0680 (7) | |
| H1B | 0.5193 | 0.8540 | 0.2424 | 0.082* | |
| O11 | 0.44953 (15) | 0.9508 (2) | 0.40876 (14) | 0.0556 (6) | |
| O12 | 0.43016 (16) | 0.9986 (3) | 0.27602 (17) | 0.0634 (7) | |
| O13 | 0.36408 (16) | 0.8190 (2) | 0.30031 (17) | 0.0628 (7) | |
| O14 | 0.31790 (16) | 1.0195 (3) | 0.30381 (17) | 0.0639 (7) |
| C1 | 0.0486 (18) | 0.0393 (18) | 0.0505 (19) | 0.0061 (15) | 0.0116 (16) | 0.0060 (15) |
| C2 | 0.0488 (18) | 0.0376 (18) | 0.0486 (19) | 0.0091 (14) | 0.0095 (15) | 0.0165 (15) |
| C3 | 0.0494 (19) | 0.061 (2) | 0.0385 (17) | 0.0044 (17) | 0.0126 (15) | 0.0105 (16) |
| C4 | 0.0482 (18) | 0.0468 (19) | 0.0387 (17) | 0.0063 (15) | 0.0134 (15) | 0.0055 (14) |
| C5 | 0.0362 (15) | 0.0360 (16) | 0.0380 (15) | 0.0020 (12) | 0.0203 (13) | 0.0036 (12) |
| C6 | 0.0468 (17) | 0.0354 (17) | 0.0341 (15) | 0.0025 (13) | 0.0163 (13) | 0.0003 (12) |
| C7 | 0.0338 (14) | 0.0349 (16) | 0.0345 (15) | −0.0009 (12) | 0.0114 (12) | 0.0020 (12) |
| C8 | 0.0361 (14) | 0.0320 (15) | 0.0336 (15) | 0.0005 (12) | 0.0114 (12) | 0.0059 (12) |
| C9 | 0.0452 (17) | 0.0414 (17) | 0.0375 (16) | −0.0043 (14) | 0.0144 (14) | 0.0005 (13) |
| C10 | 0.055 (2) | 0.0382 (18) | 0.0450 (18) | −0.0043 (15) | 0.0140 (16) | −0.0050 (15) |
| C11 | 0.057 (2) | 0.0370 (18) | 0.0508 (19) | 0.0074 (15) | 0.0175 (17) | 0.0027 (15) |
| C12 | 0.0476 (19) | 0.0454 (19) | 0.053 (2) | 0.0141 (16) | 0.0103 (16) | 0.0078 (16) |
| C13 | 0.0472 (17) | 0.0385 (17) | 0.0379 (16) | −0.0009 (14) | 0.0132 (14) | −0.0007 (13) |
| C14 | 0.0478 (18) | 0.0432 (19) | 0.054 (2) | 0.0122 (15) | 0.0150 (16) | −0.0007 (15) |
| C15 | 0.0447 (18) | 0.056 (2) | 0.055 (2) | 0.0162 (16) | 0.0160 (16) | 0.0022 (17) |
| C16 | 0.054 (2) | 0.0446 (19) | 0.053 (2) | 0.0180 (16) | 0.0161 (17) | 0.0082 (16) |
| C17 | 0.0456 (18) | 0.0356 (17) | 0.060 (2) | 0.0038 (14) | 0.0153 (16) | 0.0067 (15) |
| C18 | 0.0410 (16) | 0.0374 (17) | 0.0469 (18) | 0.0051 (13) | 0.0154 (14) | 0.0054 (14) |
| C19 | 0.0388 (16) | 0.0300 (15) | 0.0464 (18) | −0.0062 (12) | 0.0115 (14) | −0.0010 (13) |
| C20 | 0.0447 (17) | 0.0391 (17) | 0.0400 (16) | −0.0047 (13) | 0.0186 (14) | −0.0091 (13) |
| C21 | 0.0381 (15) | 0.0504 (19) | 0.0300 (15) | 0.0026 (14) | 0.0100 (13) | −0.0046 (13) |
| C22 | 0.0435 (18) | 0.061 (2) | 0.052 (2) | 0.0088 (16) | 0.0112 (16) | 0.0169 (18) |
| C23 | 0.059 (2) | 0.055 (2) | 0.051 (2) | 0.0086 (18) | 0.0198 (18) | 0.0135 (17) |
| C24 | 0.066 (2) | 0.052 (2) | 0.052 (2) | −0.0044 (18) | 0.0199 (18) | 0.0146 (17) |
| C25 | 0.052 (2) | 0.053 (2) | 0.053 (2) | −0.0111 (16) | 0.0163 (17) | 0.0013 (17) |
| C26 | 0.0442 (18) | 0.056 (2) | 0.0389 (17) | 0.0007 (15) | 0.0112 (14) | −0.0035 (15) |
| C27 | 0.0394 (16) | 0.0392 (16) | 0.0386 (16) | 0.0036 (13) | 0.0156 (13) | 0.0075 (13) |
| C28 | 0.0287 (14) | 0.0338 (16) | 0.0509 (19) | −0.0001 (12) | 0.0101 (13) | −0.0057 (13) |
| C29 | 0.073 (3) | 0.061 (3) | 0.063 (3) | −0.013 (2) | 0.021 (2) | −0.010 (2) |
| Cl1 | 0.0397 (4) | 0.0399 (4) | 0.0418 (4) | 0.0014 (3) | 0.0154 (3) | 0.0004 (3) |
| Cl2 | 0.0352 (4) | 0.0541 (5) | 0.0591 (5) | −0.0073 (3) | 0.0146 (4) | 0.0039 (4) |
| Cu1 | 0.03061 (19) | 0.0358 (2) | 0.0403 (2) | −0.00030 (15) | 0.01249 (15) | −0.00317 (16) |
| N1 | 0.0446 (14) | 0.0358 (14) | 0.0408 (14) | 0.0050 (11) | 0.0126 (12) | 0.0044 (11) |
| N2 | 0.0360 (12) | 0.0325 (13) | 0.0308 (12) | −0.0019 (10) | 0.0114 (10) | −0.0002 (10) |
| N3 | 0.0369 (13) | 0.0390 (14) | 0.0406 (14) | 0.0019 (11) | 0.0139 (11) | −0.0011 (11) |
| N4 | 0.0318 (12) | 0.0310 (12) | 0.0402 (13) | −0.0034 (10) | 0.0126 (11) | −0.0011 (10) |
| O1 | 0.0582 (15) | 0.0594 (16) | 0.0646 (16) | 0.0164 (13) | 0.0113 (13) | 0.0211 (14) |
| O11 | 0.0487 (13) | 0.0586 (15) | 0.0453 (13) | −0.0095 (11) | 0.0109 (11) | −0.0012 (11) |
| O12 | 0.0546 (14) | 0.0589 (16) | 0.0616 (16) | 0.0028 (12) | 0.0153 (13) | 0.0166 (13) |
| O13 | 0.0516 (14) | 0.0526 (15) | 0.0672 (16) | −0.0052 (11) | 0.0145 (13) | −0.0131 (13) |
| O14 | 0.0539 (14) | 0.0623 (17) | 0.0607 (16) | 0.0141 (13) | 0.0151 (13) | 0.0054 (13) |
| C1—N1 | 1.337 (4) | C19—N4 | 1.483 (4) |
| C1—C2 | 1.369 (5) | C19—H19A | 0.9700 |
| C1—H1 | 0.9300 | C19—H19B | 0.9700 |
| C2—C3 | 1.370 (5) | C20—C21 | 1.502 (5) |
| C2—H2 | 0.9300 | C20—N4 | 1.504 (4) |
| C3—C4 | 1.373 (5) | C20—H20A | 0.9700 |
| C3—H3 | 0.9300 | C20—H20B | 0.9700 |
| C4—C5 | 1.378 (4) | C21—C26 | 1.377 (5) |
| C4—H4 | 0.9300 | C21—C22 | 1.383 (5) |
| C5—N1 | 1.340 (4) | C22—C23 | 1.400 (5) |
| C5—C6 | 1.504 (4) | C22—H22 | 0.9300 |
| C6—N2 | 1.476 (4) | C23—C24 | 1.347 (5) |
| C6—H6A | 0.9700 | C23—H23 | 0.9300 |
| C6—H6B | 0.9700 | C24—C25 | 1.367 (5) |
| C7—N2 | 1.486 (4) | C24—H24 | 0.9300 |
| C7—C8 | 1.518 (4) | C25—C26 | 1.368 (5) |
| C7—H7A | 0.9700 | C25—H25 | 0.9300 |
| C7—H7B | 0.9700 | C26—H26 | 0.9300 |
| C8—C9 | 1.379 (4) | C27—N2 | 1.496 (4) |
| C8—C13 | 1.394 (4) | C27—C28 | 1.505 (4) |
| C9—C10 | 1.393 (5) | C27—H27A | 0.9700 |
| C9—H9 | 0.9300 | C27—H27B | 0.9700 |
| C10—C11 | 1.368 (5) | C28—N4 | 1.496 (4) |
| C10—H10 | 0.9300 | C28—H28A | 0.9700 |
| C11—C12 | 1.367 (5) | C28—H28B | 0.9700 |
| C11—H11 | 0.9300 | C29—O1 | 1.414 (5) |
| C12—C13 | 1.373 (5) | C29—H29A | 0.9600 |
| C12—H12 | 0.9300 | C29—H29B | 0.9600 |
| C13—H13 | 0.9300 | C29—H29C | 0.9600 |
| C14—N3 | 1.336 (4) | Cl1—O11 | 1.409 (2) |
| C14—C15 | 1.376 (5) | Cl1—O13 | 1.419 (3) |
| C14—H14 | 0.9300 | Cl1—O14 | 1.423 (3) |
| C15—C16 | 1.359 (5) | Cl1—O12 | 1.425 (3) |
| C15—H15 | 0.9300 | Cu1—N3 | 1.983 (3) |
| C16—C17 | 1.394 (5) | Cu1—N2 | 2.022 (2) |
| C16—H16 | 0.9300 | Cu1—N4 | 2.087 (2) |
| C17—C18 | 1.359 (5) | Cu1—N1 | 2.152 (3) |
| C17—H17 | 0.9300 | Cu1—Cl2 | 2.2830 (9) |
| C18—N3 | 1.359 (4) | O1—H1B | 0.9600 |
| C18—C19 | 1.500 (4) | ||
| N1—C1—C2 | 123.2 (3) | C26—C21—C22 | 117.8 (3) |
| N1—C1—H1 | 118.4 | C26—C21—C20 | 121.0 (3) |
| C2—C1—H1 | 118.4 | C22—C21—C20 | 121.2 (3) |
| C1—C2—C3 | 118.5 (3) | C21—C22—C23 | 120.6 (3) |
| C1—C2—H2 | 120.7 | C21—C22—H22 | 119.7 |
| C3—C2—H2 | 120.7 | C23—C22—H22 | 119.7 |
| C2—C3—C4 | 119.4 (3) | C24—C23—C22 | 119.6 (3) |
| C2—C3—H3 | 120.3 | C24—C23—H23 | 120.2 |
| C4—C3—H3 | 120.3 | C22—C23—H23 | 120.2 |
| C3—C4—C5 | 118.9 (3) | C23—C24—C25 | 120.6 (4) |
| C3—C4—H4 | 120.5 | C23—C24—H24 | 119.7 |
| C5—C4—H4 | 120.5 | C25—C24—H24 | 119.7 |
| N1—C5—C4 | 122.2 (3) | C24—C25—C26 | 120.1 (3) |
| N1—C5—C6 | 115.8 (3) | C24—C25—H25 | 119.9 |
| C4—C5—C6 | 122.0 (3) | C26—C25—H25 | 119.9 |
| N2—C6—C5 | 112.0 (2) | C25—C26—C21 | 121.3 (3) |
| N2—C6—H6A | 109.2 | C25—C26—H26 | 119.3 |
| C5—C6—H6A | 109.2 | C21—C26—H26 | 119.3 |
| N2—C6—H6B | 109.2 | N2—C27—C28 | 110.1 (2) |
| C5—C6—H6B | 109.2 | N2—C27—H27A | 109.6 |
| H6A—C6—H6B | 107.9 | C28—C27—H27A | 109.6 |
| N2—C7—C8 | 116.8 (2) | N2—C27—H27B | 109.6 |
| N2—C7—H7A | 108.1 | C28—C27—H27B | 109.6 |
| C8—C7—H7A | 108.1 | H27A—C27—H27B | 108.1 |
| N2—C7—H7B | 108.1 | N4—C28—C27 | 111.2 (2) |
| C8—C7—H7B | 108.1 | N4—C28—H28A | 109.4 |
| H7A—C7—H7B | 107.3 | C27—C28—H28A | 109.4 |
| C9—C8—C13 | 118.2 (3) | N4—C28—H28B | 109.4 |
| C9—C8—C7 | 120.8 (3) | C27—C28—H28B | 109.4 |
| C13—C8—C7 | 120.8 (3) | H28A—C28—H28B | 108.0 |
| C8—C9—C10 | 120.2 (3) | O1—C29—H29A | 109.5 |
| C8—C9—H9 | 119.9 | O1—C29—H29B | 109.5 |
| C10—C9—H9 | 119.9 | H29A—C29—H29B | 109.5 |
| C11—C10—C9 | 120.6 (3) | O1—C29—H29C | 109.5 |
| C11—C10—H10 | 119.7 | H29A—C29—H29C | 109.5 |
| C9—C10—H10 | 119.7 | H29B—C29—H29C | 109.5 |
| C12—C11—C10 | 119.7 (3) | O11—Cl1—O13 | 108.66 (16) |
| C12—C11—H11 | 120.2 | O11—Cl1—O14 | 110.26 (16) |
| C10—C11—H11 | 120.2 | O13—Cl1—O14 | 107.23 (17) |
| C11—C12—C13 | 120.3 (3) | O11—Cl1—O12 | 109.60 (15) |
| C11—C12—H12 | 119.9 | O13—Cl1—O12 | 113.89 (17) |
| C13—C12—H12 | 119.9 | O14—Cl1—O12 | 107.14 (16) |
| C12—C13—C8 | 121.1 (3) | N3—Cu1—N2 | 161.01 (10) |
| C12—C13—H13 | 119.4 | N3—Cu1—N4 | 81.13 (10) |
| C8—C13—H13 | 119.4 | N2—Cu1—N4 | 86.06 (10) |
| N3—C14—C15 | 122.1 (3) | N3—Cu1—N1 | 92.73 (10) |
| N3—C14—H14 | 118.9 | N2—Cu1—N1 | 80.29 (10) |
| C15—C14—H14 | 118.9 | N4—Cu1—N1 | 115.89 (10) |
| C16—C15—C14 | 118.1 (3) | N3—Cu1—Cl2 | 99.64 (8) |
| C16—C15—H15 | 120.9 | N2—Cu1—Cl2 | 99.03 (7) |
| C14—C15—H15 | 120.9 | N4—Cu1—Cl2 | 142.95 (7) |
| C15—C16—C17 | 120.6 (3) | N1—Cu1—Cl2 | 101.12 (8) |
| C15—C16—H16 | 119.7 | C1—N1—C5 | 117.8 (3) |
| C17—C16—H16 | 119.7 | C1—N1—Cu1 | 130.9 (2) |
| C18—C17—C16 | 118.5 (3) | C5—N1—Cu1 | 111.08 (19) |
| C18—C17—H17 | 120.7 | C6—N2—C7 | 110.6 (2) |
| C16—C17—H17 | 120.7 | C6—N2—C27 | 109.8 (2) |
| N3—C18—C17 | 121.2 (3) | C7—N2—C27 | 113.4 (2) |
| N3—C18—C19 | 114.4 (3) | C6—N2—Cu1 | 107.97 (18) |
| C17—C18—C19 | 124.4 (3) | C7—N2—Cu1 | 112.35 (17) |
| N4—C19—C18 | 108.3 (3) | C27—N2—Cu1 | 102.29 (18) |
| N4—C19—H19A | 110.0 | C14—N3—C18 | 119.4 (3) |
| C18—C19—H19A | 110.0 | C14—N3—Cu1 | 128.9 (2) |
| N4—C19—H19B | 110.0 | C18—N3—Cu1 | 111.4 (2) |
| C18—C19—H19B | 110.0 | C19—N4—C28 | 111.5 (2) |
| H19A—C19—H19B | 108.4 | C19—N4—C20 | 108.3 (2) |
| C21—C20—N4 | 114.1 (2) | C28—N4—C20 | 110.0 (2) |
| C21—C20—H20A | 108.7 | C19—N4—Cu1 | 99.18 (17) |
| N4—C20—H20A | 108.7 | C28—N4—Cu1 | 106.68 (17) |
| C21—C20—H20B | 108.7 | C20—N4—Cu1 | 120.60 (18) |
| N4—C20—H20B | 108.7 | C29—O1—H1B | 109.3 |
| H20A—C20—H20B | 107.6 |
| H··· | ||||
| O1—H1 | 0.96 | 2.48 | 3.140 (4) | 126 |
Selected bond lengths (Å)
| Cu1—N3 | 1.983 (3) |
| Cu1—N2 | 2.022 (2) |
| Cu1—N4 | 2.087 (2) |
| Cu1—N1 | 2.152 (3) |
| Cu1—Cl2 | 2.2830 (9) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O1—H1 | 0.96 | 2.48 | 3.140 (4) | 126 |