Research Article
Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry
Table 3
Intermolecular hydrogen: bonding geometry (Å and deg) for 1a and 1b.
| | D–HA | 1a | 1b | | (D–H) | (HA) | (DA) | <(DHA) | (D–H) | (HA) | (DA) | <(DHA) |
| CHO
| 0.980 | 2.425
| 3.402
| 174.68
| — | — | — | — | CHN
| 0.990
| 2.573
| 3.313
| 131.53
| — | — | — | — | | CHπ (C≡N) | 0.980
| 2.965
| 3.837
| 148.86 | 0.970
| 2.906
| 3.635
| 132.81
| | — | — | — | — | 0.970 | 3.238
| 4.135 | 154.55 | | — | — | — | — | — | 3.536 | — | — |
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