Table 6. Characteristics of the Br⋯Br interactions found in compounds 1, 3, 5, 8 and FdBr2 .
| Compound | R—Br⋯Br′—R′ | Br⋯Br (Å) | Θ1 (°) | Θ2 (°) | |Θ1 − Θ2| (°) | XB Type |
|---|---|---|---|---|---|---|
| FdBr2* | C1—Br1⋯Br2—C6 | 3.586 | 89.7 | 153.1 | 63.2 | II |
| 1** | C1—Br1⋯Br2—C2 | 3.564 | 145.2 | 156.4 | 11.2 | I |
| 3 | C13—Br13⋯Br11—C11 | 3.617 | 135.2 | 153.8 | 18.6 | Quasi-Type I/Type II |
| C23—Br23⋯Br11—C11 | 3.582 | 137.3 | 143.3 | 6.0 | I | |
| C23—Br23⋯Br21—C21 | 3.594 | 146.9 | 141.8 | 5.1 | I | |
| C13—Br13⋯Br23—C23 | 3.656 | 84.7 | 85.1 | 0.4 | IV | |
| C11—Br11⋯Br21—C21 | 3.657 | 85.2 | 84.4 | 0.8 | IV | |
| 5 | C1—Br1⋯Br3—C3 | 3.518 | 160.8 | 124.8 | 36.0 | II |
| C2—Br2⋯Br4—C4 | 3.538 | 128.9 | 163.8 | 34.9 | II | |
| 8 | C1—Br1⋯Br9—C9 | 3.545 | 154.8 | 117.4 | 37.4 | II |
| C4—Br4⋯Br6—C6 | 3.634 | 117.7 | 113.1 | 4.6 | I | |
| C4—Br4⋯Br7—C7 | 3.657 | 171.4 | 112.5 | 58.9 | II | |
| C3—Br3⋯Br6—C6 | 3.521 | 174.1 | 65.9 | 108.2 | II | |
| C7—Br7⋯Br10—Hg1 | 3.658 | 167.0 | 97.9 | 69.1 | II | |
| C9—Br9⋯Br10—Hg1 | 3.642 | 109.4 | 163.4 | 54.0 | II |
Notes: (*) taken from Shimizu & Ferreira da Silva (2018 ▸); (**) calculated from the downloaded CIF file, available from the CCDC as CSD refcode UTOBUB.