Table 3. The matrix of correlation coefficients between the geometrical parameters of imidazole rings obtained from discriminative analysis of the CSD ‘all’ data set (Table 1 ▸).
Correlation coefficients with an absolute value above 0.65 are italicized and those between the four parameters selected for the final discrimination function (the bond lengths ND1CE1 and CE1NE2 and the valence angles ND1 and NE2) are in bold.
| CGND1 | ND1CE1 | CE1NE2 | NE2CD2 | CD2CG | CG | ND1 | CE1 | NE2 | CD2 | |
|---|---|---|---|---|---|---|---|---|---|---|
| CGND1 | 1.00 | 0.24 | 0.32 | 0.27 | 0.09 | 0.01 | 0.02 | 0.08 | 0.25 | 0.20 |
| ND1CE1 | 1.00 | 0.18 | 0.10 | 0.07 | 0.12 | 0.07 | 0.19 | 0.00 | 0.25 | |
| CE1NE2 | 1.00 | 0.01 | 0.13 | 0.42 | 0.25 | 0.05 | 0.06 | 0.18 | ||
| NE2CD2 | 1.00 | 0.00 | 0.17 | 0.25 | 0.09 | 0.24 | 0.11 | |||
| CD2CG | 1.00 | 0.05 | 0.09 | 0.26 | 0.05 | 0.07 | ||||
| CG | 1.00 | 0.79 | 0.19 | 0.28 | 0.77 | |||||
| ND1 | 1.00 | 0.67 | 0.18 | 0.35 | ||||||
| CE1 | 1.00 | 0.77 | 0.26 | |||||||
| NE2 | 1.00 | 0.75 | ||||||||
| CD2 | 1.00 |