Table 2. Comparative torsion angles (°) for selected 2,6,9-trisubstituted purines containing the 2-chloro 6-benzylamino and 9-isopropyl unit.
| Compound | angle | value | angle | value |
|---|---|---|---|---|
| NG38a | C6—N6—C9—C10 | 115.22 (13) | H17—C17—N9—C4 | −13.38 (18) |
| CIBAP1b | C6—N6—C9—C10 | 178.97 (15) | H16—C16—N9—C4 | −63.03 (2) |
| CIBAP2c | C6—N6—C9—C10 | −117.35 (2) | H16—C16—N9—C4 | 30.35 (3) |
| CIABAPd | C20—N5—C19—C16 | 100.28 (3) | H25—C25—N4—C22 | 45.01 (3) |
| CIABAPd | C70—N55—C69—C66 | −99.62 (3) | H75—C75—N54—C72 | −40.79 (3) |
Notes: (a) Trávníček & Zatloukal (2004 ▶), where NG38 is N-[(2-azepan-1-yl)-9-isopropyl-9H-purin-6-yl]-4-methoxybenzylamine; (b) Trávníček & Popa (2007a ▶), where CIBAP1 is 2-chloro-6-[(2,6-dimethoxybenzyl)amino]-9-isopropylpurine; (c) Trávníček & Popa (2007b ▶), where CIBAP2 is 2-chloro-6-[(4-hydroxy-3,5-dimethoxybenzyl)amino]-9-isopropylpurine; (d) this work, where CIABAP is the title compound (the structure consists of two crystallographically independent molecules).