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1. Abstract and Comment.  I do not believe that the purported intramolecular C--H...O interaction has any structural importance (the angle around H is much too small).  Delete all references to this.  The bifurcated R^1^~2~(6) motif involving O2, H3A and H7A is more interesting, but you do not mention this (you should do so).  More information is needed about pi...pi interactions.  Are they edge-face or face-face? If edge-face, then what is the C-H pointing at?  Centre of the ring?  C=C?  Allyl fragment?  Butadiene fragment?  If face-face, then what is the slippage as well as the centroid-centroid distance?

3.  Redraw Figure 2 using only those H atoms involved in C--H...O interactions.  The picture will be much clearer and will show that a hydrogen-bonded ribbon is formed by the R^1^~2~(6) motif.
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linhua0402313: ½ð±Ò+50, ´úÂ¥Ö÷¸ø½ð±Ò 2012-08-12 12:30:20
linhua0402313: ½ð±Ò+50, ´úÂ¥Ö÷¸ø½ð±Ò 2012-08-12 12:30:28
linhua0402313: ½ð±Ò+50, ´úÂ¥Ö÷¸ø½ð±Ò 2012-08-12 12:30:37
linhua0402313: ½ð±Ò+50, ´úÂ¥Ö÷¸ø½ð±Ò 2012-08-12 12:30:47
linhua0402313: ½ð±Ò+50, ´úÂ¥Ö÷¸ø½ð±Ò 2012-08-12 12:30:55
linhua0402313: ½ð±Ò+50, ´úÂ¥Ö÷¸ø½ð±Ò 2012-08-12 12:31:03
linhua0402313: ½ð±Ò+50, ´úÂ¥Ö÷¸ø½ð±Ò 2012-08-12 12:31:22
1. Abstract and Comment.  I do not believe that the purported intramolecular C--H...O interaction has any structural importance (the angle around H is much too small).  Delete all references to this.  The bifurcated R^1^~2~(6) motif involving O2, H3A and H7A is more interesting, but you do not mention this (you should do so).  More information is needed about pi...pi interactions.  Are they edge-face or face-face? If edge-face, then what is the C-H pointing at?  Centre of the ring?  C=C?  Allyl fragment?  Butadiene fragment?  If face-face, then what is the slippage as well as the centroid-centroid distance?
  the intramolecular C--H...O interaction has not importance. the intrermolecular C7--H7a...O2 interaction is very important. there is one pi...pi interaction, C1-C6 rings.

3.  Redraw Figure 2 using only those H atoms involved in C--H...O interactions.  The picture will be much clearer and will show that a hydrogen-bonded ribbon is formed by the R^1^~2~(6) motif.
R^1^~2~(6) motif?  i question it .
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3Â¥2012-08-12 10:35:39
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