The structure of potassium benzilate

Abstract

KC~4HI~O 3, monoclinic, space group P211c, a = 13.43 (2), b = 9.20(1), c = 10.40(2) A; fl = 111.0 (1)°; D m = 1.67, D x = 1.64 g cm -3, Z = 4;

Structure of lithium benzilate hemihydrate solved by simulated annealing and difference Fourier synthesis from powder data

“…and angles shown in Table 2. The orientations of the phenyl rings in the benzilate moieties are those of propeller blades, as found in potassium benzilate (Vyas et al, 1978), in a bis(benzilato)penta-coordinated silicate organometallic complex (Tacke et al, 1994) and in the various benzilate derivatives of quaternary ammonium salts that encompass the anti-muscarinic drugs (Meyerho È ffer & Carlstro È m, 1969;Carpy et al, 1979;Leger et al, 1979;Sabatino et al, 1994;Kiesewetter, Flippen-Anderson & Eckelman, 1995;Kiesewetter, Silverton & Eckelman, 1995). This conformation minimizes the repulsive interactions between the geminal phenyl rings.…”

“…For the structural solution, 348 intensities were extracted from the experimental diffraction pattern by carrying out a Pawley (1981) re®nement in the angular range 1 2 23.25 , as implemented in the program DASH. A starting model of the benzilate moiety was assembled using the sketching facilities of MATERIALS STUDIO (Molecular Simulations Inc., 2001), assuming that the bulky phenyls which form the hydrophobic portion of the molecule had conformations similar to those seen in other benzilate derivatives (Vyas et al, 1978;Rojas, 2001). Two benzilate ions (Z H = 2) were introduced into the cell, which implied that a total of 20 parameters were to be found by the program DASH during the minimization process: six coordinates to describe the positions of the two centers of mass, eight quaternions describing their orientations and six torsion angles to describe the conformation about the carbon atoms.…”

Crystal structure, spectral investigations, DFT and antimicrobial activity of brucinium benzilate (BBA)

“…Recently, benzilic acid derivatives were recognized as a potent antimicrobial agent with good activity range [18]. Benzilic acid shows multi-use such as polymers, medicine and analytical agent [19]. Brucine and benzilic acid exhibit a variety of medicinal uses.…”