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. 2012 Aug 31;8:1406–1442. doi: 10.3762/bjoc.8.163

Table 13.

ACA values of pyridines and 4-aminopyridines, ordered by increasing ACA values.

system ACA [kJ/mol] system ACA [kJ/mol]

pyridine (1) +156.1 Inline graphic
(358)
+164.7
Inline graphic
(359)
+175.0 Inline graphic
(360)
+182.4
Inline graphic
(361)
+183.8 Inline graphic
(362)
+183.5
Inline graphic
(363)
+184.1 Inline graphic
(364)
+206.4
Inline graphic
(365)
+207.2 Inline graphic
(366)
+210.7
Inline graphic
(367)
+211.4 Inline graphic
(368)
+211.5
Inline graphic
(54)
+217.3 Inline graphic
(369)
+219.4
Inline graphic
(370)
+222.2 Inline graphic
(371)
+222.8
Inline graphic
(372)
+223.0 Inline graphic
(373)
+223.2
Inline graphic
(56)
+223.7 Inline graphic
(374)
+223.9a
Inline graphic
(375)
+224.0a Inline graphic
(376)
+224.2a
Inline graphic
(377)
+224.6a Inline graphic
(378)
+227.8
Inline graphic
(379)
+230.0 Inline graphic
(380)
+236.6
Inline graphic
(57)
+238.3 Inline graphic
(381)
+238.5
Inline graphic
(382)
+239.1

aThe conformational space used is based on the minima found for system 370 and elongation of alkyl groups using all-trans conformations.