| Literature DB >> 25878841 |
Md Serajul Haque Faizi1, Natalia O Sharkina2, Yuliya M Davydenko2.
Abstract
In the mononuclear title complex, [CdBr2(C20H17N3)(C3H7NO)], synthesized from the quinoline-derived Schiff base 2-(1H-indol-3-yl)-N-(quinolin-2-yl-methyl-ene)ethan-amine (IQME), the coordination geometry around the Cd(2+) atom is distorted trigonal bipyramidal, the axial positions being occupied by the quinoline N atom [Cd-N = 2.401 (3) Å] and one di-methyl-formamide O-atom donor [Cd-O = 2.399 (2) Å]. The equatorial plane is formed by the imine N atom [Cd-N = 2.293 (3) Å] and two bromides [Cd-Br = 2.5621 (8) and 2.5676 (8) Å], with the deviation of the Cd(II) atom from the equatorial plane being 0.046 (1) Å. An intra-molecular C-H⋯Br inter-action occurs. In the crystal, N-H⋯Br inter-actions generate [101] chains.Entities:
Keywords: CdII complex with IQME; N—H⋯Br interactions; crystal structure; quinolinyl-containing Schiff base
Year: 2015 PMID: 25878841 PMCID: PMC4384581 DOI: 10.1107/S2056989015000778
Source DB: PubMed Journal: Acta Crystallogr E Crystallogr Commun
| [CdBr2(C20H17N3)(C3H7NO)] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 2146 reflections |
| θ = 1.8–25.0° | |
| µ = 4.16 mm−1 | |
| β = 97.785 (5)° | Block, yellow |
| 0.20 × 0.15 × 0.12 mm | |
| Bruker SMART APEX CCD diffractometer | 4308 independent reflections |
| Radiation source: fine-focus sealed tube | 3120 reflections with |
| Graphite monochromator | |
| /w–scans | θmax = 25.0°, θmin = 1.6° |
| Absorption correction: multi-scan ( | |
| 12172 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 | |
| 4308 reflections | (Δ/σ)max = 0.001 |
| 286 parameters | Δρmax = 0.74 e Å−3 |
| 90 restraints | Δρmin = −0.47 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 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 > 2sigma(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. |
| C1 | 0.5561 (3) | 0.7787 (5) | 0.6436 (2) | 0.0453 (10) | |
| C2 | 0.5466 (3) | 0.7981 (6) | 0.5739 (2) | 0.0566 (12) | |
| H2 | 0.5985 | 0.7951 | 0.5520 | 0.068* | |
| C3 | 0.4627 (4) | 0.8211 (6) | 0.5382 (3) | 0.0677 (14) | |
| H3 | 0.4574 | 0.8341 | 0.4920 | 0.081* | |
| C4 | 0.3834 (3) | 0.8255 (6) | 0.5702 (3) | 0.0700 (15) | |
| H4 | 0.3263 | 0.8418 | 0.5450 | 0.084* | |
| C5 | 0.3891 (3) | 0.8065 (6) | 0.6373 (3) | 0.0649 (13) | |
| H5 | 0.3359 | 0.8083 | 0.6577 | 0.078* | |
| C6 | 0.4762 (3) | 0.7837 (5) | 0.6770 (2) | 0.0502 (11) | |
| C7 | 0.4882 (3) | 0.7673 (6) | 0.7461 (3) | 0.0577 (12) | |
| H7 | 0.4372 | 0.7704 | 0.7689 | 0.069* | |
| C8 | 0.5739 (3) | 0.7469 (6) | 0.7813 (2) | 0.0554 (12) | |
| H8 | 0.5820 | 0.7370 | 0.8277 | 0.067* | |
| C9 | 0.6492 (3) | 0.7413 (5) | 0.7455 (2) | 0.0439 (10) | |
| C10 | 0.7428 (3) | 0.7150 (5) | 0.7806 (2) | 0.0441 (10) | |
| H10 | 0.7511 | 0.7098 | 0.8272 | 0.053* | |
| C11 | 0.9037 (3) | 0.6785 (5) | 0.7898 (2) | 0.0469 (11) | |
| H11A | 0.9358 | 0.5919 | 0.7711 | 0.056* | |
| H11B | 0.8962 | 0.6500 | 0.8354 | 0.056* | |
| C12 | 0.9611 (3) | 0.8304 (5) | 0.7905 (2) | 0.0522 (11) | |
| H12A | 0.9698 | 0.8576 | 0.7450 | 0.063* | |
| H12B | 0.9284 | 0.9176 | 0.8084 | 0.063* | |
| C13 | 1.0533 (3) | 0.8096 (5) | 0.8323 (2) | 0.0495 (11) | |
| C14 | 1.0778 (4) | 0.8648 (6) | 0.8953 (2) | 0.0636 (13) | |
| H14 | 1.0406 | 0.9277 | 0.9185 | 0.076* | |
| C15 | 1.1988 (3) | 0.7273 (6) | 0.8722 (2) | 0.0556 (12) | |
| C16 | 1.2826 (3) | 0.6473 (7) | 0.8738 (3) | 0.0686 (14) | |
| H16 | 1.3262 | 0.6495 | 0.9118 | 0.082* | |
| C17 | 1.2980 (4) | 0.5663 (7) | 0.8180 (3) | 0.0753 (15) | |
| H17 | 1.3532 | 0.5119 | 0.8182 | 0.090* | |
| C18 | 1.2341 (4) | 0.5622 (7) | 0.7609 (3) | 0.0715 (15) | |
| H18 | 1.2477 | 0.5079 | 0.7232 | 0.086* | |
| C19 | 1.1504 (3) | 0.6380 (6) | 0.7594 (2) | 0.0583 (12) | |
| H19 | 1.1074 | 0.6339 | 0.7211 | 0.070* | |
| C20 | 1.1309 (3) | 0.7205 (5) | 0.8157 (2) | 0.0477 (10) | |
| C21 | 0.9869 (3) | 0.7038 (7) | 0.5975 (3) | 0.0697 (15) | |
| H21 | 0.9706 | 0.8096 | 0.5887 | 0.084* | |
| C22 | 1.1131 (5) | 0.7539 (10) | 0.5352 (5) | 0.150 (4) | |
| H22A | 1.1142 | 0.7114 | 0.4911 | 0.225* | |
| H22B | 1.1747 | 0.7609 | 0.5580 | 0.225* | |
| H22C | 1.0859 | 0.8583 | 0.5319 | 0.225* | |
| C23 | 1.0901 (5) | 0.4887 (8) | 0.5815 (3) | 0.099 (2) | |
| H23A | 1.1049 | 0.4468 | 0.5399 | 0.149* | |
| H23B | 1.0420 | 0.4258 | 0.5962 | 0.149* | |
| H23C | 1.1436 | 0.4849 | 0.6146 | 0.149* | |
| Cd1 | 0.78346 (2) | 0.70754 (4) | 0.635528 (15) | 0.04782 (13) | |
| N1 | 0.6416 (2) | 0.7570 (4) | 0.67886 (17) | 0.0435 (8) | |
| N2 | 0.8125 (2) | 0.6993 (4) | 0.75016 (17) | 0.0426 (8) | |
| N3 | 1.1651 (3) | 0.8157 (6) | 0.9203 (2) | 0.0696 (12) | |
| N4 | 1.0598 (3) | 0.6510 (6) | 0.5720 (2) | 0.0701 (12) | |
| Br1 | 0.79839 (4) | 0.96756 (6) | 0.57108 (3) | 0.06928 (18) | |
| Br2 | 0.72209 (4) | 0.46231 (6) | 0.56734 (2) | 0.06947 (18) | |
| O1 | 0.9397 (2) | 0.6298 (5) | 0.63075 (17) | 0.0739 (10) | |
| H3N3 | 1.192 (3) | 0.842 (5) | 0.9637 (13) | 0.071 (15)* |
| C1 | 0.045 (2) | 0.041 (3) | 0.050 (3) | −0.002 (2) | 0.0079 (19) | −0.004 (2) |
| C2 | 0.051 (3) | 0.067 (3) | 0.050 (3) | 0.002 (3) | 0.003 (2) | −0.002 (2) |
| C3 | 0.066 (3) | 0.073 (4) | 0.060 (3) | 0.001 (3) | −0.006 (2) | 0.000 (3) |
| C4 | 0.044 (3) | 0.076 (4) | 0.083 (4) | 0.009 (3) | −0.013 (3) | −0.005 (3) |
| C5 | 0.043 (3) | 0.070 (4) | 0.081 (3) | 0.005 (3) | 0.008 (2) | −0.011 (3) |
| C6 | 0.043 (2) | 0.043 (3) | 0.066 (3) | 0.000 (2) | 0.012 (2) | −0.007 (2) |
| C7 | 0.053 (3) | 0.058 (3) | 0.066 (3) | 0.001 (2) | 0.022 (2) | −0.007 (2) |
| C8 | 0.058 (3) | 0.061 (3) | 0.051 (3) | 0.002 (2) | 0.020 (2) | −0.003 (2) |
| C9 | 0.048 (2) | 0.040 (3) | 0.045 (3) | 0.001 (2) | 0.0099 (19) | −0.0047 (19) |
| C10 | 0.056 (2) | 0.041 (3) | 0.037 (2) | 0.002 (2) | 0.0097 (19) | −0.0008 (19) |
| C11 | 0.051 (2) | 0.046 (3) | 0.042 (2) | 0.001 (2) | 0.001 (2) | 0.004 (2) |
| C12 | 0.056 (3) | 0.046 (3) | 0.054 (3) | 0.001 (2) | 0.005 (2) | 0.003 (2) |
| C13 | 0.056 (3) | 0.047 (3) | 0.044 (3) | −0.010 (2) | 0.004 (2) | 0.001 (2) |
| C14 | 0.070 (3) | 0.065 (3) | 0.057 (3) | −0.012 (3) | 0.011 (2) | −0.014 (3) |
| C15 | 0.051 (3) | 0.064 (3) | 0.050 (3) | −0.014 (2) | −0.003 (2) | 0.009 (2) |
| C16 | 0.056 (3) | 0.075 (4) | 0.071 (3) | −0.010 (3) | −0.006 (3) | 0.020 (3) |
| C17 | 0.051 (3) | 0.080 (4) | 0.094 (4) | −0.004 (3) | 0.006 (3) | 0.016 (3) |
| C18 | 0.067 (3) | 0.081 (4) | 0.071 (3) | −0.003 (3) | 0.025 (3) | 0.001 (3) |
| C19 | 0.064 (3) | 0.068 (3) | 0.042 (3) | −0.003 (3) | 0.004 (2) | 0.004 (2) |
| C20 | 0.054 (2) | 0.049 (3) | 0.040 (2) | −0.009 (2) | 0.0054 (19) | 0.005 (2) |
| C21 | 0.057 (3) | 0.090 (4) | 0.064 (3) | 0.002 (3) | 0.017 (3) | 0.007 (3) |
| C22 | 0.126 (7) | 0.142 (7) | 0.208 (10) | −0.025 (5) | 0.113 (7) | 0.009 (6) |
| C23 | 0.094 (5) | 0.116 (5) | 0.089 (4) | 0.031 (4) | 0.020 (4) | −0.009 (4) |
| Cd1 | 0.0476 (2) | 0.0570 (2) | 0.0402 (2) | 0.00472 (16) | 0.01071 (14) | 0.00239 (15) |
| N1 | 0.0435 (19) | 0.048 (2) | 0.040 (2) | 0.0015 (17) | 0.0078 (15) | −0.0050 (16) |
| N2 | 0.0440 (19) | 0.042 (2) | 0.0394 (19) | 0.0019 (17) | −0.0016 (15) | 0.0021 (16) |
| N3 | 0.072 (3) | 0.089 (4) | 0.045 (3) | −0.016 (2) | −0.005 (2) | −0.009 (2) |
| N4 | 0.053 (2) | 0.092 (3) | 0.070 (3) | 0.001 (2) | 0.025 (2) | −0.005 (2) |
| Br1 | 0.0819 (4) | 0.0595 (3) | 0.0678 (4) | 0.0028 (3) | 0.0150 (3) | 0.0150 (3) |
| Br2 | 0.1018 (4) | 0.0537 (3) | 0.0519 (3) | 0.0022 (3) | 0.0066 (3) | −0.0024 (2) |
| O1 | 0.0531 (19) | 0.101 (3) | 0.072 (2) | 0.0162 (19) | 0.0258 (17) | 0.026 (2) |
| C1—N1 | 1.369 (5) | C14—H14 | 0.9300 |
| C1—C2 | 1.401 (6) | C15—N3 | 1.366 (6) |
| C1—C6 | 1.431 (6) | C15—C16 | 1.397 (7) |
| C2—C3 | 1.355 (6) | C15—C20 | 1.409 (6) |
| C2—H2 | 0.9300 | C16—C17 | 1.360 (8) |
| C3—C4 | 1.407 (7) | C16—H16 | 0.9300 |
| C3—H3 | 0.9300 | C17—C18 | 1.383 (7) |
| C4—C5 | 1.352 (7) | C17—H17 | 0.9300 |
| C4—H4 | 0.9300 | C18—C19 | 1.381 (7) |
| C5—C6 | 1.427 (6) | C18—H18 | 0.9300 |
| C5—H5 | 0.9300 | C19—C20 | 1.392 (6) |
| C6—C7 | 1.387 (7) | C19—H19 | 0.9300 |
| C7—C8 | 1.370 (6) | C21—O1 | 1.201 (5) |
| C7—H7 | 0.9300 | C21—N4 | 1.324 (6) |
| C8—C9 | 1.400 (6) | C21—H21 | 0.9300 |
| C8—H8 | 0.9300 | C22—N4 | 1.437 (8) |
| C9—N1 | 1.338 (5) | C22—H22A | 0.9600 |
| C9—C10 | 1.476 (6) | C22—H22B | 0.9600 |
| C10—N2 | 1.270 (5) | C22—H22C | 0.9600 |
| C10—H10 | 0.9300 | C23—N4 | 1.437 (7) |
| C11—N2 | 1.474 (5) | C23—H23A | 0.9600 |
| C11—C12 | 1.526 (6) | C23—H23B | 0.9600 |
| C11—H11A | 0.9700 | C23—H23C | 0.9600 |
| C11—H11B | 0.9700 | Cd1—N2 | 2.293 (3) |
| C12—C13 | 1.505 (6) | Cd1—O1 | 2.399 (3) |
| C12—H12A | 0.9700 | Cd1—N1 | 2.401 (3) |
| C12—H12B | 0.9700 | Cd1—Br1 | 2.5621 (8) |
| C13—C14 | 1.353 (6) | Cd1—Br2 | 2.5676 (8) |
| C13—C20 | 1.439 (6) | N3—H3N3 | 0.937 (19) |
| C14—N3 | 1.376 (7) | ||
| N1—C1—C2 | 119.7 (4) | C17—C16—H16 | 121.1 |
| N1—C1—C6 | 120.8 (4) | C15—C16—H16 | 121.1 |
| C2—C1—C6 | 119.5 (4) | C16—C17—C18 | 122.0 (5) |
| C3—C2—C1 | 120.6 (5) | C16—C17—H17 | 119.0 |
| C3—C2—H2 | 119.7 | C18—C17—H17 | 119.0 |
| C1—C2—H2 | 119.7 | C19—C18—C17 | 120.6 (5) |
| C2—C3—C4 | 120.6 (5) | C19—C18—H18 | 119.7 |
| C2—C3—H3 | 119.7 | C17—C18—H18 | 119.7 |
| C4—C3—H3 | 119.7 | C18—C19—C20 | 119.5 (5) |
| C5—C4—C3 | 120.9 (5) | C18—C19—H19 | 120.3 |
| C5—C4—H4 | 119.6 | C20—C19—H19 | 120.3 |
| C3—C4—H4 | 119.6 | C19—C20—C15 | 118.5 (4) |
| C4—C5—C6 | 120.4 (5) | C19—C20—C13 | 134.8 (4) |
| C4—C5—H5 | 119.8 | C15—C20—C13 | 106.7 (4) |
| C6—C5—H5 | 119.8 | O1—C21—N4 | 127.1 (6) |
| C7—C6—C5 | 123.9 (4) | O1—C21—H21 | 116.5 |
| C7—C6—C1 | 118.0 (4) | N4—C21—H21 | 116.5 |
| C5—C6—C1 | 118.0 (4) | N4—C22—H22A | 109.5 |
| C8—C7—C6 | 120.9 (4) | N4—C22—H22B | 109.5 |
| C8—C7—H7 | 119.5 | H22A—C22—H22B | 109.5 |
| C6—C7—H7 | 119.5 | N4—C22—H22C | 109.5 |
| C7—C8—C9 | 118.2 (4) | H22A—C22—H22C | 109.5 |
| C7—C8—H8 | 120.9 | H22B—C22—H22C | 109.5 |
| C9—C8—H8 | 120.9 | N4—C23—H23A | 109.5 |
| N1—C9—C8 | 123.4 (4) | N4—C23—H23B | 109.5 |
| N1—C9—C10 | 116.2 (4) | H23A—C23—H23B | 109.5 |
| C8—C9—C10 | 120.4 (4) | N4—C23—H23C | 109.5 |
| N2—C10—C9 | 122.9 (4) | H23A—C23—H23C | 109.5 |
| N2—C10—H10 | 118.6 | H23B—C23—H23C | 109.5 |
| C9—C10—H10 | 118.6 | N2—Cd1—O1 | 89.09 (12) |
| N2—C11—C12 | 111.5 (3) | N2—Cd1—N1 | 71.98 (12) |
| N2—C11—H11A | 109.3 | O1—Cd1—N1 | 160.51 (12) |
| C12—C11—H11A | 109.3 | N2—Cd1—Br1 | 121.29 (9) |
| N2—C11—H11B | 109.3 | O1—Cd1—Br1 | 93.61 (9) |
| C12—C11—H11B | 109.3 | N1—Cd1—Br1 | 100.11 (9) |
| H11A—C11—H11B | 108.0 | N2—Cd1—Br2 | 121.28 (9) |
| C13—C12—C11 | 111.2 (3) | O1—Cd1—Br2 | 91.67 (10) |
| C13—C12—H12A | 109.4 | N1—Cd1—Br2 | 94.25 (8) |
| C11—C12—H12A | 109.4 | Br1—Cd1—Br2 | 117.24 (3) |
| C13—C12—H12B | 109.4 | C9—N1—C1 | 118.7 (4) |
| C11—C12—H12B | 109.4 | C9—N1—Cd1 | 112.9 (3) |
| H12A—C12—H12B | 108.0 | C1—N1—Cd1 | 127.9 (3) |
| C14—C13—C20 | 106.1 (4) | C10—N2—C11 | 118.9 (4) |
| C14—C13—C12 | 126.2 (5) | C10—N2—Cd1 | 115.6 (3) |
| C20—C13—C12 | 127.6 (4) | C11—N2—Cd1 | 125.5 (3) |
| C13—C14—N3 | 111.0 (5) | C15—N3—C14 | 108.2 (4) |
| C13—C14—H14 | 124.5 | C15—N3—H3N3 | 130 (3) |
| N3—C14—H14 | 124.5 | C14—N3—H3N3 | 122 (3) |
| N3—C15—C16 | 130.3 (5) | C21—N4—C23 | 121.1 (5) |
| N3—C15—C20 | 108.1 (4) | C21—N4—C22 | 121.7 (6) |
| C16—C15—C20 | 121.6 (5) | C23—N4—C22 | 117.2 (5) |
| C17—C16—C15 | 117.7 (5) | C21—O1—Cd1 | 120.7 (3) |
| N1—C1—C2—C3 | −179.4 (4) | C8—C9—N1—C1 | −0.4 (6) |
| C6—C1—C2—C3 | −0.1 (7) | C10—C9—N1—C1 | 178.9 (4) |
| C1—C2—C3—C4 | −0.2 (8) | C8—C9—N1—Cd1 | −172.7 (3) |
| C2—C3—C4—C5 | −0.2 (8) | C10—C9—N1—Cd1 | 6.5 (5) |
| C3—C4—C5—C6 | 0.9 (8) | C2—C1—N1—C9 | 179.0 (4) |
| C4—C5—C6—C7 | 178.3 (5) | C6—C1—N1—C9 | −0.4 (6) |
| C4—C5—C6—C1 | −1.1 (7) | C2—C1—N1—Cd1 | −10.0 (6) |
| N1—C1—C6—C7 | 0.6 (6) | C6—C1—N1—Cd1 | 170.7 (3) |
| C2—C1—C6—C7 | −178.7 (4) | N2—Cd1—N1—C9 | −5.4 (3) |
| N1—C1—C6—C5 | −179.9 (4) | O1—Cd1—N1—C9 | 8.8 (6) |
| C2—C1—C6—C5 | 0.7 (7) | Br1—Cd1—N1—C9 | −125.2 (3) |
| C5—C6—C7—C8 | −179.5 (5) | Br2—Cd1—N1—C9 | 116.1 (3) |
| C1—C6—C7—C8 | −0.1 (7) | N2—Cd1—N1—C1 | −176.9 (4) |
| C6—C7—C8—C9 | −0.6 (7) | O1—Cd1—N1—C1 | −162.6 (4) |
| C7—C8—C9—N1 | 0.9 (7) | Br1—Cd1—N1—C1 | 63.3 (3) |
| C7—C8—C9—C10 | −178.3 (4) | Br2—Cd1—N1—C1 | −55.3 (3) |
| N1—C9—C10—N2 | −3.7 (6) | C9—C10—N2—C11 | 178.1 (4) |
| C8—C9—C10—N2 | 175.6 (4) | C9—C10—N2—Cd1 | −1.6 (5) |
| N2—C11—C12—C13 | 178.7 (4) | C12—C11—N2—C10 | −105.1 (4) |
| C11—C12—C13—C14 | −102.0 (5) | C12—C11—N2—Cd1 | 74.5 (4) |
| C11—C12—C13—C20 | 74.1 (6) | O1—Cd1—N2—C10 | −171.7 (3) |
| C20—C13—C14—N3 | −0.7 (6) | N1—Cd1—N2—C10 | 3.6 (3) |
| C12—C13—C14—N3 | 176.0 (4) | Br1—Cd1—N2—C10 | 94.6 (3) |
| N3—C15—C16—C17 | 179.5 (5) | Br2—Cd1—N2—C10 | −80.3 (3) |
| C20—C15—C16—C17 | 2.1 (7) | O1—Cd1—N2—C11 | 8.6 (3) |
| C15—C16—C17—C18 | 0.3 (8) | N1—Cd1—N2—C11 | −176.1 (3) |
| C16—C17—C18—C19 | −1.7 (8) | Br1—Cd1—N2—C11 | −85.0 (3) |
| C17—C18—C19—C20 | 0.7 (8) | Br2—Cd1—N2—C11 | 100.0 (3) |
| C18—C19—C20—C15 | 1.7 (7) | C16—C15—N3—C14 | −177.8 (5) |
| C18—C19—C20—C13 | −179.3 (5) | C20—C15—N3—C14 | −0.2 (5) |
| N3—C15—C20—C19 | 179.0 (4) | C13—C14—N3—C15 | 0.6 (6) |
| C16—C15—C20—C19 | −3.1 (7) | O1—C21—N4—C23 | 1.1 (9) |
| N3—C15—C20—C13 | −0.2 (5) | O1—C21—N4—C22 | −177.3 (7) |
| C16—C15—C20—C13 | 177.6 (4) | N4—C21—O1—Cd1 | −155.8 (4) |
| C14—C13—C20—C19 | −178.5 (5) | N2—Cd1—O1—C21 | −129.2 (4) |
| C12—C13—C20—C19 | 4.8 (8) | N1—Cd1—O1—C21 | −142.7 (4) |
| C14—C13—C20—C15 | 0.6 (5) | Br1—Cd1—O1—C21 | −7.9 (4) |
| C12—C13—C20—C15 | −176.1 (4) | Br2—Cd1—O1—C21 | 109.5 (4) |
| H··· | ||||
| N3—H3 | 0.94 (3) | 2.65 (3) | 3.504 (4) | 153 (3) |
| C21—H21···Br1 | 0.93 | 2.83 | 3.527 (5) | 132 |
Hydrogen-bond geometry (, )
|
|
| H |
|
|
|---|---|---|---|---|
| N3H3 | 0.94(3) | 2.65(3) | 3.504(4) | 153(3) |
| C21H21Br1 | 0.93 | 2.83 | 3.527(5) | 132 |
Symmetry code: (i) .