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Two Polymorphs of Structures of $alpha,alpha$-Trehalose Octaacetate Monohydrate
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  • Two Polymorphs of Structures of $alpha,alpha$-Trehalose Octaacetate Monohydrate
  • Two Polymorphs of Structures of $alpha,alpha$-Trehalose Octaacetate Monohydrate
저자명
Park. Young-Ja,Shin. Jung-Mi
간행물명
Bulletin of the Korean Chemical Society
권/호정보
1993년|14권 2호|pp.200-206 (7 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

Structures of two polymorphs of ${alpha},{alpha}$-trehalose octaacetate monohydrate, $C_{28}H_{38}O_{19};{cdot};H_2O$, have been studied by X-ray diffraction method. ${alpha},{alpha}$-trehalose (${alpha}$-D-glucopyranosyl ${alpha}$-D-glucopyranoside) is a nonreducing disaccharide. The polymorph I belongs to the monoclinic $P2_1$, and has unit cell parameters of a=10.725(l), b=15.110(4), c=11.199(5) ${AA}$, ${eta}=108.16(2)^{circ}$ and Z=2. The polymorph II is orthorhombic $P2_12_12_1$, with a=13.684(4), b=15.802(4), c=17.990(9) ${AA}$ and Z=4. The final R and R$_w$ values for monoclinic polymorph I are 0.043 and 0.048 and for orthorhombic polymorph II are 0.116 and 0.118, respectively. Those R values of polymorph II are high because the large thermal motions of acetyl groups and the poor quality of the crystal. The molecular conformations in the two polymorphs are similar. Both D-glucopyranosyl rings have chair $^4C_1$ conformations and atoms of glycosidic chain ${alpha}(1{ ightarrow}1)$ linkage are coplanar. The primary acetate groups of the pyranose residues assume both gauche-trans conformations. The molecules of two polymorphs have pseudo-C$_2$ symmetry at glycosidic O(1) atom. The bond lengths and angles are normal compared with those in other acetylated sugar compounds. The molecules in the monoclinic crystal are held by the hydrogen bonds with the water molecules and by van der Waals forces.