4-Iodoanilinium nitrate

In the title compound, C6H7IN+·NO3 −, π–π stacking interactions [centroid–centroid distances = 4.014 (4) and 4.029 (4) Å] stabilize the crystal structure and strong N—H⋯O and N—H⋯N hydrogen bonds link the cations and anions into zigzag chains running parallel to the c axis. The asymmetric unit contains two unique cations and anions

In the title compound, C 6 H 7 IN + ÁNO 3 À ,stacking interactions [centroid-centroid distances = 4.014 (4) and 4.029 (4) Å ] stabilize the crystal structure and strong N-HÁ Á ÁO and N-HÁ Á ÁN hydrogen bonds link the cations and anions into zigzag chains running parallel to the c axis. The asymmetric unit contains two unique cations and anions

Comment
As a continuation of our study of phase transition materials, including organic ligands (Li et al., 2008), metal-organic coordination compounds (Zhang et al., 2009 ), organic-inorganic hybrids, we studied the dielectric properties of the title compound, unfortunately, there was no distinct anomaly observed from 93 K to 380 K, (m.p. 408 K-410 K). In this article, the crystal structure of (I) has been presented.

Experimental
Single crystals of 4-iodoanilinium nitrate were prepared by slow evaporation at room temperature of an ethanol solution of equal molar 4-iodobenzenamine and nitrate acid.

Refinement
Positional parameters of all the H atoms were calculated geometrically and were allowed to ride on the C and N atoms to which they are bonded, with U iso (H) = 1.2U eq (C), U iso (H) = 1.2U eq (N). Fig. 1. The molecular structure of the title compound, with the atomic numbering scheme. Displacement ellipsoids are drawn at the 30% probability level, and all H atoms have been omitted for clarity.

Special details
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.
Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating Rfactors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.