C7H5N2O2 +.Cl-H2O, Mr = 202.60, monoclinic, C2c, a = 25.62(3), b = 4.964(2), c = 14.900 (14)Å, β = 107.15 (4)°, V = 1811 (3)Å3, Z = 8, Dx = 1.486 g cm-3, λ(Mo Kα) = 0.71073 Å, µ = 3.9 cm-1, F(000) = 832, T = 298 K, R = 0.035 for 1275 observed reflections. The terminal N atom of the diazonium group is bent away from the carboxyl group. The N2 and the carboxyl group are on opposite sides of the best plane of the aromatic ring and, importantly, the carboxyl group is not fully conjugated with the aromatic ring but instead is rotated [12.3 (1)°] around the C-CO2 axis.
C. J. Horan et al., "2-Carboxybenzenediazonium Chloride Monohydrate," Acta Crystallographica Section C: Crystal Structure Communications, vol. 49, no. 3, pp. 507 - 509, International Union of Crystallography (IUCr), Mar 1993.
The definitive version is available at https://doi.org/10.1107/S0108270192009673
Keywords and Phrases
Carbon Dioxide; Aromatic Rings; Carboxyl Groups; Aromatic Compounds
International Standard Serial Number (ISSN)
Article - Journal
© 1993 International Union of Crystallography (IUCr), All rights reserved.
01 Mar 1993