SINGLE-CRYSTAL STRUCTURE DETERMINATION OF CETYLPYRIDINIUMAMMONIUM BROMIDE AND RIETVELD STRUCTURE DETERMINATION OF CETYLQUINUCLIDINIUM BROMIDE

The structures of cetylpyridiniumammonium bromide (CPyB) and cetylquin uclidinium bromide (CQB), two tetraalkylammonium bromide surfactants, are reported. In particular, whereas the structure solution of CPyB wa s carried out through conventional single-crystal diffractometry, the structure of CQB has been determined by means of powder diffractometry . CPyB crystallizes in P (1) over bar space group with cell parameters a = 7.618(2) Angstrom, b = 5.554(1) Angstrom, c = 27.474(7) Angstrom, alpha = 95.03(2)degrees, beta = 95.65(2)degrees, gamma = 100.89(2)deg rees, V = 1129.2(5) Angstrom(3) (R = 0.066, wR = 0.054): CQB also in P (1) over bar with cell parameters a = 8.1395(8) Angstrom, b = 6.4475( 7) Angstrom, c = 25.237(2) Angstrom, alpha = 99.921(6)degrees, beta = 93.123(9)degrees, gamma = 111.956(9)degrees, V = 1222.9(2) Angstrom(3) (R-p = 0.097, wR(p) = 0.128, R-exp = 0.078, and R(F-2) = 0.127).