Crystal and molecular structure of .ALPHA.-form of 2,4,6-trimethyl-1,3,5-trithiane.

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概要

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• The crystal structure of α-form of 2,4,6-trimethyl-1,3,5-trithiane (α-TTA) has been determined by the X-ray method. The crystal data are <I>a</I>=9.768, <I>b</I>=12.306, <I>c</I>=8.521 Å, and β=116.33 °. The space group is Cc with four molecules in a unit cell. The structure was deduced from interpretation of the 3D-Patterson series, and refined by 3D-Fourier and least-squares method to the final <I>R</I> factor of 0.040 for 1371 reflections. The molecule has a six-membered ring where three sulfur atoms and three carbon atoms are linked alternatively, forming a chairform. Two methyl groups are in the equatorial positions and one methyl group in the axial. The mean values of the bond distances are 1.818 Å for S–C and 1.519 Å for C–C<SUB>eq</SUB>. The distance is 1.541 Å for C–C<SUB>ax</SUB>. The mean values of the bond angles are 101.89° for C–S–C, 107.60° for S–C–C<SUB>eq</SUB>, 113.25° for S–C–C<SUB>ax</SUB>, and 112.92° for S–C–S.

• 公益社団法人 日本化学会の論文

著者

• Hirokawa Sakutaro

  Department of Chemistry Defense Academy

• Noguchi Teruo

  Koa Oil Co., Ltd.

• Sekido Kiyotane

  Department of Chemistry, The National Defense Academy

• Ono Haruaki

  Koa Oil Co., Ltd.

関連論文

• The Crystal Structure of Ethylenediammonium Chloride
• The Crystal Structure of Tetramethylenediammonium Chloride
• The crystal and molecular structure of 1-(2-amino-4-pyrimidinyl)-.BETA.-carboline.
• A reinvestigation of the crystal and molecular structure of the .BETA.-form of 2,4,6-trimethyl-1,3,5-trithiane.
• Crystal and molecular structure of trans-1,4-dibenzoyl-2,5-dimethylpiperazine.
• Crystal and molecular structure of .ALPHA.-form of 2,4,6-trimethyl-1,3,5-trithiane.
• Crystal and molecular structure of trans-2,5-dimethylpiperazine.

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