Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 8 (August 2002)

Acta Cryst. (2002). C58, o487-o490 [doi:10.1107/S010827010201140X]

2-Iodo-N-(3-nitrobenzyl)aniline and 3-iodo-N-(3-nitrobenzyl)aniline exhibit entirely different patterns of supramolecular aggregation

C. Glidewell, J. N. Low, J. M. S. Skakle, S. M. S. V. Wardell and J. L. Wardell

Abstract: In 2-iodo-N-(3-nitrobenzyl)aniline, C₁₃H₁₁IN₂O₂, the molecules are linked into a three-dimensional structure by a combination of C-HO hydrogen bonds, iodo-nitro interactions and aromatic [bold pi] --stacking interactions, but N-HO and C-H(arene) hydrogen bonds are absent. In the isomeric 3-iodo-N-(3-nitrobenzyl)aniline, a two-dimensional array is generated by a combination of N-HO, C-HO and C-H(arene) hydrogen bonds, but iodo-nitro interactions and aromatic --stacking interactions are both absent.

Formula: Two isomers of C₁₃H₁₁IN₂O₂

Online 20 July 2002


	Structure factor file (CIF format) (134.8 kbytes) Contains datablock I

	Structure factor file (CIF format) (156.4 kbytes) Contains datablock II

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