Table 2. Calculated MEP values (in kJ mol⁻¹) on the two best hydrogen-bond donor and acceptor sites for compounds 1–9, as indicated in Fig. 12 ▸ (blue and red atoms).

Compound	O	X	H(N)	H(C)
1	−215	−181	298	225
2	−212	−150	301	226
3	−200	−120	296	220
4	−188	−116	305	143
5	−188	−90	310	140
6	−187	−61	311	141
7 †	−205	−120	256	111
8	−200	−97	256	112
9 ‡	−193	−78	252	109

^†NALFEN.

^‡Hypothetical model of 9 if it were isostructural with 7 and 8.