Molecular and crystal structure of the bilayer-forming lipid-model amphiphile, diteradecyldimethylammonium bromide monohydrate.
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概要
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The conformation and molecular packing of ditetradecyldimethylammonium bromide monohydrate (2C<SUB>14</SUB>N<SUP>+</SUP>2C<SUB>1</SUB>Br<SUP>−</SUP>·H<SUB>2</SUB>O), C<SUB>30</SUB>H<SUB>62</SUB>NBr·H<SUB>2</SUB>O, has been determined by the X-ray diffraction method. The crystals are triclinic with the space group <I>P</I>\bar1, <I>Z</I>=2, <I>a</I>=2.9827(9), <I>b</I>=0.7847(3), <I>c</I>=0.7480(3) nm, α=104.69(4), β=90.64(7), and γ=90.84(6)°. The structure was determined by direct methods and refined by the least-squares procedure: <I>R</I>=0.07 (<I>R</I><SUB>w</SUB>=0.07) for 3335 observed reflections. Two amphiphile molecules of the unit cell are related by centrosymmetry and pack tail to tail in a bilayer structure. The hydrocarbon chains tilt about 45° with respect to the bilayer normal. There are statistically four water molecules with half occupancies in a unit cell. Water molecules and bromide anions make hydrogen-bonding networks along the <I>c</I>-axis in the hydrophilic layer. The above molecular and crystal structure of 2C<SUB>14</SUB>N<SUP>+</SUP>2C<SUB>1</SUB>Br<SUP>−</SUP>·H<SUB>2</SUB>O was quite similar to those of 2C<SUB>18</SUB>N<SUP>+</SUP>2C<SUB>1</SUB>Br<SUP>−</SUP>·H<SUB>2</SUB>O.
- 公益社団法人 日本化学会の論文
著者
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Kunitake Toyoki
Faculty Of Engineering Kyushu University
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Okuyama Kenji
Faculty Of Technology Tokyo University Of Agriculture & Technology
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Iijima Naomi
Faculty of Technology, Tokyo University of Agriculture and Technology
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Hirabayashi Kiyoshi
Faculty of Technology, Tokyo University of Agriculture and Technology
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Kusunoki Masami
Crystallographic Research Center, Institute for Protein Research, Osaka University
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