TY - JOUR
T1 - 5-Aminoisophthalic Acid Hemihydrate
AU - Amonette, Allison J.
AU - Gerkin, Roger E.
PY - 1998/1/1
Y1 - 1998/1/1
N2 - The title acid, C8H7NO4.0.5H2O, crystallized in the centrosymmetric space group C 2/ 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.
AB - The title acid, C8H7NO4.0.5H2O, crystallized in the centrosymmetric space group C 2/ 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.
UR - https://digitalcommons.georgiasouthern.edu/chem-facpubs/187
UR - https://doi.org/10.1107/S0108270198005915
U2 - 10.1107/S0108270198005915
DO - 10.1107/S0108270198005915
M3 - Article
SN - 2053-2296
VL - 54
JO - Acta Crystallographica Section C: Structural Chemistry
JF - Acta Crystallographica Section C: Structural Chemistry
ER -