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0004600112
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note
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This marked effect may result form a larger number of interactions between the side chains as well as an increase in the interactions between aromatic rings due to the electron donor character of the decyloxy substituent in 5.
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note
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Water could never be completely removed.
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46
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0004564526
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note
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The H-O-H angle of the water molecules is considerably opened to 160°. The O-H bonds are thus almost aligned with the helix axis preventing the water hydrogens to form hydrogen bonds to the pyridine nitrogens of the strands. The water oxygens are within hydrogen bond distance to two amide hydrogens (2.99 Å but NH⋯O angles of only 137° are unfavorable for a strong interaction.
-
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47
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0033615770
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0004637044
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note
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For a detailed discussion of this structural dissymmetry, and its dynamics in solution, see ref. [18].
-
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49
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0032573081
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The two strands of each duplex are crystallographically inequivalent. Thus, this structure represents an example of the co-crystallization of two different conformers of the same compound as seen in Gramicidin crystals and in steroids. See: a) B. M. Burkhart, N. Li, D. A. Langs, W. A. Pangborn, W. L. Duax, Proc. Natl. Acad. Sci. USA 1998, 95, 12 950;
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