Ethidium heptafluorobutyrate

The crystal structure of the title ethidium salt has been determined. The ethidium cations construct a dimerized structure due to π–π interactions.


Synthesis and crystallization
A methanol solution (1 ml) of silver(I) heptafluorobutyrate (64.2 mg, 0.20 mmol) was mixed with a methanol solution (30 ml) of ethidium bromide (78.9 mg, 0.20 mmol) and data reports then the mixture was stirred for 30 minutes at room temperature. The insoluble precipitate was removed by centrifugation. The remaining solution was evaporated to obtain a crude powder. The crude powder was dissolved in a mixed solvent (methanol:water = 1:1) and red crystals of the target compound were obtained by slow evaporation of the solution after 9 d at room temperature.

Figure 1
The crystal structure and hydrogen-bonding arrangements of the title compound with displacement ellipsoids drawn at the 50% probability level. Hydrogen atoms are omitted for clarity.

Figure 3
Illustration of the packing of the title compound along the a axis.

Refinement
Refinement on F 2 Least-squares matrix: full R[F 2 > 2σ(F 2 )] = 0.089 wR(F 2 ) = 0.218 S = 1.11 12404 reflections 669 parameters 0 restraints Hydrogen site location: inferred from neighbouring sites H-atom parameters constrained 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.

data-2
IUCrData (2022). 7, x220884 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 > 2sigma(F 2 ) is used only for calculating R-factors(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. All of hydrogen atoms are geometrically fixed using a riding-model approximation with C-H = 0.95 (for phenyl), 0.98 (for methyl), 0.99 (for methylene), and N-H = 0.88 Å.
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )