Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 2 (February 2002)

Acta Cryst. (2002). C58, o97-o99    [doi:10.1107/S0108270101021254]

Hydrogen bonding in C-substituted nitroanilines: molecular ladders in 2-trifluoromethyl-4-nitroaniline and sheets of R(12) and R(32) rings in 3-trifluoromethyl-4-nitroaniline

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

Abstract: In 2-trifluoromethyl-4-nitroaniline, C₇H₅F₃N₂O₂, (I), the molecules lie across a mirror plane in space group Pnma. The molecules are linked by paired N-HO hydrogen bonds to form a C(8)[R(6)] chain of rings, pairs of which are linked into a molecular ladder by a single C-HO hydrogen bond. The isomeric 3-trifluoromethyl-4-nitroaniline, (II), has Z' = 2 in space group P2₁/c. Each molecule is linked to four others by N-HO hydrogen bonds to form sheets built from alternating R(12) and R(32) rings.

Formula: Two isomers of C₇H₅F₃N₂O₂

Online 23 January 2002

	Structure factor file (CIF format) (47.8 kbytes) Contains datablock I
	Structure factor file (CIF format) (173.7 kbytes) Contains datablock II

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

Copyright © International Union of Crystallography
IUCr Webmaster