Saha, Binoy K. ; Nangia, Ashwini ; Nicoud, Jean-Francois (2006) Using halogen···halogen interactions to direct noncentrosymmetric crystal packing in dipolar organic molecules Crystal Growth & Design, 6 (6). pp. 1278-1281. ISSN 1528-7483
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Official URL: http://pubs.acs.org/doi/abs/10.1021/cg060117k
Related URL: http://dx.doi.org/10.1021/cg060117k
Abstract
Halogen atoms Cl, Br, and I steer crystallization of 2-halo-3-hydroxypyridine 1, pyridine-N-oxides 2, and 2-halo-3-aminopyridine 3 in noncentrosymmetric space groups efficient for nonlinear optical materials. Whereas the strong hydrogen-bond chains are aligned antiparallel, the L- or V-geometry of weak interhalogen interaction steers polar alignment in the solid state, even for high dipole moment (μ) halogenated N-oxides 2 (μ > 5.0 D). Six out of seven structures evaluated crystallize in polar/chiral space groups due to interhalogen interactions compared to the one in six probability of noncentrosymmetric packing for achiral molecules.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 24561 |
| Deposited On: | 29 Nov 2010 08:31 |
| Last Modified: | 04 Mar 2011 05:28 |
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