Acta Crystallographica Section C

Crystal Structure Communications

Volume 64, Part 2 (February 2008)

organic compounds

Acta Cryst. (2008). C64, o101-o104 [ doi:10.1107/S0108270108001078 ]

Hydrogen-bonding motifs in 3-carboxyanilinium bromide and iodide

D. Cincic and B. Kaitner

Abstract: In the title compounds, C₇H₈NO₂⁺·Br^-, (I), and C₇H₈NO₂⁺·I^-, (II), the asymmetric unit contains a discrete 3-carboxyanilinium cation, with a protonated amine group, and a halide anion. The compounds are not isostructural, and the crystal structures of (I) and (II) are characterized by different two-dimensional hydrogen-bonded networks. The ions in (I) are connected into ladder-like ribbons via N-HBr hydrogen bonds, while classic cyclic O-HO hydrogen bonds between adjacent carboxylic acid functions link adjacent ribbons to give three characteristic graph-set motifs, viz. C₂¹(4), R₄²(8) and R₂²(8). The ions in (II) are connected via N-HI, N-HO and O-HI hydrogen bonds, also with three characteristic graph-set motifs, viz. C(7), C₂¹(4) and R₄²(18), but an O-HO interaction is not present.

Formula: C₇H₈NO₂⁺·Br^- and C₇H₈NO₂⁺·I^-


	Structure factor file (CIF format) (83.7 kbytes) [ doi:10.1107/S0108270108001078/ln3083Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (93.8 kbytes) [ doi:10.1107/S0108270108001078/ln3083IIsup3.hkl ] Contains datablock II

Notes:

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.

Search: From to Advanced search