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. 2011 Sep 19;16(9):8041–8052. doi: 10.3390/molecules16098041

Table 3.

Comparison of H-bond parameters in model compounds 1f, 1b and 2b, 2f and 3b.

Compound C2(CH···O) C6(CH···O) C2 pyr(CH···O) C6 pyr(CH···O)
1f 2.508 Å, 2.511 Å, - -
(86.6°) (86.5°)
2.376 Å, 2.374 Å,
(93.6°) (93.7°)
1b 2.032 Å, 2.073 Å, - -
(131.5°) (126.0°)
2f 2.329 Å, 2.168 Å, 2.629 Å, 2.152 Å,
(99.6°) (117.7°) (89.7°) (137.3°)
2b 2.254 Å, 2.198 Å, 2.544 Å, 2.913 Å,
(103.9°) (107.7°) (94.0°) (87.5°)
3b 2.341 Å, 2.366 Å, 2.591 Å, 2.849 Å,
(98.914°) (96.979°) (90.362°) (82.121°)