We define �bridge-flipped isomers� as molecules related by the?? reversal of a bridge of atoms connecting two major portions of each?? molecule.  In benzylideneanilines, this isomerism is Ar-CH=N-Ar' vs. Ar-N=CH-Ar' (Ar = aryl).  We are examining?? benzylideneanilines by single-crystal X-ray diffraction to determine what?? intermolecular interactions define their crystal structures.  Here we present crystal structures?? of bis-benzylideneanilines bearing halogen substituents and discuss?? the intermolecular contacts involving the halogens.  We wish to (1) determine whether these contacts occur over multiple structures and (2) determine whether similar contacts occurring in different isomers can facilitate isomorphism (same molecular packing).  Centrosymmetric molecules tend to occupy crystallographic inversion centers; we wish to determine whether this tendency can facilitate isomorphism between our centrosymmetric bridge-flipped isomers.  Those described here occupy inversion centers and some halogen-halogen contacts are observed; nevertheless, their crystal structures differ, possibly due to differences in weak interactions such as halogen-hydrogen contacts.

Intermolecular contacts involving halogen atoms in the?? solid-state structures of some <i>bis</i>-benzylideneanilines

245th National Meeting (2013)

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Intermolecular contacts involving halogen atoms in the?? solid-state structures of some bis-benzylideneanilines