How Realistic Are Interactions Involving Organic Fluorine in Crystal Engineering? Insights from Packing Features in Substituted Isoquinolines

Choudhury, Angshuman Roy and Row, Tayur Guru N (2004) How Realistic Are Interactions Involving Organic Fluorine in Crystal Engineering? Insights from Packing Features in Substituted Isoquinolines. In: Crystal Growth & Design, 4 (1). pp. 47-52.

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Abstract

Three new compounds have been synthesized based on the molecular motif, 6-methoxy-1,2-diphenyl- 1,2,3,4-tetrahydroisoquinoline, with fluorine substitution at para, meta, and ortho positions on the 1-phenyl ring and a fluorine in the ortho position on the 2-phenyl ring. The crystal structures of all three compounds have been determined by single-crystal X-ray diffraction at 100.0(2) K. The three structures, as compared to the corresponding structures with no fluorine atom on the 2-phenyl ring, generate motifs via $C-H\cdot\cdot\cdot{F}$ and $C-F\cdot\cdot\cdot{\pi}$ interactions. None of these structures have any significant interactions other than those involving fluorine. The changes in both conformational features and in the intra- and intermolecular interactions involving fluorine provide significant inputs for understanding packing features associated with organic fluorine.

Item Type:	Journal Article
Publication:	Crystal Growth & Design
Publisher:	American Chemical Society
Additional Information:	The copyright of this article belongs to American Chemical Society.
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	19 Feb 2007
Last Modified:	19 Sep 2010 04:28
URI:	http://eprints.iisc.ac.in/id/eprint/7453

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