Article
5-Aminoisophthalic Acid Hemihydrate
Acta Crystallographica Section C: Structural Chemistry
Document Type
Article
Publication Date
1-1-1998
DOI
10.1107/S0108270198005915
Disciplines
Abstract
The title acid, C8H7NO4.0.5H2O, crystallized in the centrosymmetric space group C2/c in a zwitterionic form (5-ammonioisophthalate), with the water molecule on a twofold axis. The three ammonio H atoms and the H atom on the remaining carboxyl group, which are involved in hydrogen bonding, are ordered. Three intermolecular N-HO hydrogen bonds have NO distances ranging from 2.762 (2) to 2.905 (2) Å and N-HO angles ranging from 155 (2) to 163 (2)°. Two intermolecular O-HO hydrogen bonds have OO distances of 2.536 (2) and 2.746 (2) Å, and O-HO angles of 178 (2) and 176 (2)°. A three-dimensional network of hydrogen bonds is present. Through basic second-level graphs involving acid-to-acid hydrogen bonds, chains are more numerous than rings.
Citation Information
Allison J. Amonette and Roger E. Gerkin. "5-Aminoisophthalic Acid Hemihydrate" Acta Crystallographica Section C: Structural Chemistry Vol. 54 (1998) p. 1503 - 1505 ISSN: 2053-2296 Available at: http://works.bepress.com/allison_amonette/29/
Copyright, 1999, International Union of Crystallography