Table 9.
Atomic population variations (Hirshfeld), Reagent → TSOC and TSOC → Product. The highlighted values are the most remarkable.
Atoms | Reagent → TSOC | TSOC → Product | Atoms | Reagent → TSOC | TSOC → Product |
---|---|---|---|---|---|
1 | -0.0108 | 0.0159 | 12 | 0.0068 | -0.0008 |
2 | -0.0014 | -0.0268 | 13 | 0.0002 | 0.0010 |
3 | 0.0090 | -0.0295 | 14 | 0.0014 | -0.0007 |
4 | -0.0152 | 0.0187 | 15 | 0.0016 | 0.0002 |
5 | -0.0041 | 0.0004 | 16 | -0.0001 | -0.0003 |
6 | -0.0059 | 0.0003 | 17 | 0.0007 | -0.0003 |
7 | -0.0012 | 0.0125 | 18 | 0.0016 | -0.0004 |
8 | 0.0046 | 0.0036 | 19 | 0.0004 | -0.0001 |
9 | 0.0047 | 0.0042 | 20 | 0.0006 | 0.0004 |
10 | -0.0007 | 0.0050 | 21 | 0.0002 | -0.0002 |
11 | 0.0069 | -0.0032 | 22 | 0.0006 | -0.0002 |