Table 1. IR shifts of C O and N–H stretching modes, melting points, and orthogonal angle α (∠X···O···N, with X = Br, I) of 1 and co-crystals 3a–f .
ν C O (cm–1) | ν N–H (cm–1) | m.p. (°C) | α (∠X···O···N) (°) | |
1 | 1634 | 3290 | 12–20 | — |
3a | 1635 | 3292 | 18 | 98.5(3) |
3b | 1629 | 3289 | 35 | 91.9(7) |
3c | 1625 | 3291 | 75 | 81.2(9) |
3d | 1616 | 3281 | 67 | 82.9(3); 89.0(2) a |
3e | 1617 | 3282 | 76 | 81.9(4) |
3f | 1607 | 3300 | 87 | 77.9(5) |
a Two symmetry-independent molecules.