Acta Crystallographica Section C

Volume 67, Part 5 (May 2011)

organic compounds

gd3379 scheme

Acta Cryst. (2011). C67, o154-o156 [ doi:10.1107/S0108270111008675 ]

The effect of Cl interactions on the conformations of 4-chloro-5-(2-phenoxyethoxy)phthalonitrile and 4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile

A. Hori, Y. Inoue and H. Yuge

Abstract: 4-Chloro-5-(2-phenoxyethoxy)phthalonitrile, C₁₆H₁₁ClN₂O₂, (I), and 4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile, C₁₆H₆ClF₅N₂O₂, (II), show different types of electrostatic interaction. In (I), the phenoxy and phthalonitrile (benzene-1,2-dicarbonitrile) moieties are well separated in an open conformation and intermolecular C-H [pi] interactions are observed in the crystal packing. On the other hand, in (II), the pentafluorophenoxy moiety interacts closely with the Cl atom to form a folded conformation containing an intramolecular halogen- [pi] interaction.

Formula: C₁₆H₁₁ClN₂O₂ and C₁₆H₆ClF₅N₂O₂


	Structure factor file (CIF format) (155.2 kbytes) [ doi:10.1107/S0108270111008675/gd3379Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (163.8 kbytes) [ doi:10.1107/S0108270111008675/gd3379IIsup3.hkl ] Contains datablock II

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