Imidazole–imidazolium picrate monohydrate

Abstract

The asymmetric unit of the title compound, C3H5N2 +·C6H2N3O7 −·C3H4N2·H2O or H(C3H4N2)2 +·C6H2N3O7 −·H2O, contains a diimidazolium cationic unit, one picrate anion and one mol­ecule of water. In the crystal, the components are connected by N—H⋯O, N—H⋯N and O—H⋯O hydrogen bonds, forming a two-dimensional network parallel to (001). In addition, weak inter­molecular C—H⋯O hydrogen bonds lead to the formation of a three-dimensional network featuring R 5 5(19) rings.

Stoichiometric and polymorphic salt of imidazolium picrate monohydrate

“…1a and 1b). The results of X-ray diffraction indicates that the structure of the block-shaped crystals is the same as that reported by Moreno-Fuquen et al (2011). Herein, the crystal structure of the needle-shaped crystals is reported.…”

“…The nitro groups, N1/O2/O3, N2/O4/O5 and N3/O6/ O7, are twisted from the central benzene ring by dihedral angles of 43.3 (3), 4.2 (3) and 48.5 (3) , respectively. In the imidazolium cation, the C7-N4 [1.329 (3) Å ] and C7-N5 [1.331 (3) Å ] bond distances are the same due to the delocalizing effect and similar to those observed in other co-crystal salts (Soriano-García et al, 1990;Moreno-Fuquen et al, 2011).…”

“…A structural comparison between these compounds indicates that the two nitrogen atoms in the imidazolium cations are preferably hydrogen-bonded to the picrate anions, in which they can be in a bifurcated or a linear mode. For instance, in the 1:1 organic salt imidazolium picrate (QAKGUG; Moreno-Fuquen et al, 2011), the imidazole N7 atom is linearly hydrogen-bonded to the phenolate oxygen atom O1. However, in the 1:2 salt (SEZREU; Soriano-García et al, 1990), the imidazole N1 atom is involved in bifuracted hydrogen bonding to the phenolate O1 and nitro O2 atoms.…”

Benzotriazolium picrate

“…During the preparation a phenolic proton was transfered to a triazole nitrogen atom, forming the 1:1 organic salt. In the picrate anion, the bond distances of C1-O1 = 1.251 3Å, C1-C2= 1.446 (4)Å and C1-C6 = 1.454 (4)Å may be affected by the withdrawing electron effects of the three nitro groups and are comparable to those in some related structures (Moreno-Fuquen et al, 2011;Pi et al, 2009;Jin et al, 2008;Li, 2007).…”

Growth and anisotropic studies on potential nonlinear optical crystal imidazole–imidazolium picrate monohydrate (IIP) in different orientations for NLO device fabrications

“…The asymmetric unit contains two imidazole molecules as cationic unit, one picrate ion and one molecule of water. In the crystal, molecules are connected by N-H Á Á Á O, N-H Á Á Á N and O-H Á Á Á O hydrogen bonds [6]. In the present investigation, we report for the first time the bulk growth, optical and anisotropic studies of IIP.…”