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KMID : 0370219800240020135
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Yakhak Hoeji
1980 Volume.24 No. 2 p.135 ~ p.141
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The Crystal Structure of 2-Methyl-3-(N-trimethyl ammonium)phenol Iodide
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조성일/Cho SI
윤희숙/구정회/Yun HS/Koo CH
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Abstract
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The crystal and molecular structure of 2-methyl-3-(N-trimethyl ammonium)phenol iodide, C10H16NOI, was determined by X-ray diffraction method. The compound crystallizes in the orthorhombic space group Pna21 with a=13.327(3), b=12.496(3), c=7.227(2)A(Angstroem) and Z=4. A total of 489 independent observed reflections were collected by the automated Four-circle diffractometer and was solved by heavy atom method and refined by anisotropic block-diagonal least-squares method to the R value of 0.04. The benzene ring is slightly distorted from regular hexagon. The I atom and 2-methyl-3-(N-trimethyl ammonium)phenol group is held together by van der Waals forces in the crystal. Intermolecular hydrogen bond is of the type 0-H...I with the length 3.35A. Apart from the hydrogen bonding system the molecules are held together by van der Waals forces in the crystal.
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