w G 12 8QQ Crystallographic studies of 1,3,5-tris-(0-, m-, and p-fluorophenyl) -1,3,5-triazacyclohexane disclose examples of diaxial-equatorial chair conformations for 1,3,5-triaryl-I ,3,5-triazacyclohexanes. The repulsion between axial aryl groups is relieved by the N-C(aryl) axial bonds being displaced outwards from ideal tetrahedral positions by 17-21'. The orientation of the equatorial aryl ring about the N-C(aryl) bond depends on the position of the F substituent. In the p -F compound the angle between

Abstract. C21H39N3, Mr=333"6, triclinic, P1, a=

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Key indicatorsSingle-crystal X-ray study T = 150 K Mean (C-C) = 0.004 Å R factor = 0.070 wR factor = 0.172 Data-to-parameter ratio = 14.8For details of how these key indicators were automatically derived from the article, see

The triazacyclohexane ring adopts a twist-boat conformation with torsion angles -25.3 (2), -41.3 (2), 70.3 (2), -27.7 (2), -35.8 (2) and 66.0 (2) °. The N--C(aryl) bonds from the ring have lengths of 1.356 (3), 1.382 (3) and 1.400 (3) ,4, and are inclined at 3.3(2), 21.2(2) and 29.5 (3) ° to the CH2--N--CH2 planes. The N--C bond lengths in the triazacyclohexane ring are 1.442 (3)-1.474 (3)A. The pyridine molecules are accommodated in an ordered manner in channels aligned along the screw axes parallel to b.

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Key indicatorsSingle-crystal X-ray study T = 150 K Mean (C-C) = 0.003 Å R factor = 0.058 wR factor = 0.147 Data-to-parameter ratio = 13.0For details of how these key indicators were automatically derived from the article, see