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Licensed Unlicensed Requires Authentication Published by De Gruyter (O) July 28, 2010

Single crystal structure determination of cetylpyridiniumammonium bromide and Rietveld structure determination of cetylquinuclidinium bromide

Abstract

The structures of cetylpyridiniumammonium bromide (CPyB) and cetylquinuclidinium bromide (CQB), two tetraalkylammonium bromide surfactants, are reported. In particular, whereas the structure solution of CPyB was carried out through conventional single-crystal diffractometry, the structure of CQB has been determined by means of powder diffractometry. CPyB crystallizes in P[unk] space group with cell parameters a = 7.618(2) Å, b = 5.554(1) Å, c = 27.474(7) Å, α = 95.03(2)°, β = 95.65(2)°, γ = 100.89(2)°, V = 1129.2(5) Å3 (R = 0.066, wR = 0.054): CQB also in P[unk] with cell parameters a = 8.1395(8) Å, b = 6.4475(7) Å, c = 25.237(2) Å, α = 99.921(6)°, β = 93.123(9)°, γ = 111.956(9)°, V = 1222.9(2) Å3 (Rp = 0.097, wRp = 0.128, Rexp = 0.078, and R(F2) = 0.127).

Published Online: 2010-7-28
Published in Print: 1998-2-1

© 2015 Oldenbourg Wissenschaftsverlag GmbH, Rosenheimer Str. 145, 81671 München

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