The Crystal Structure of 5-Phenyl-2-oxazolyl Isocyanate Dimer
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概要
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The molecular structure of 5-phenyl-2-oxazolyl isocyanate dimer (II), the thermal decomposition product of benzyl 5-phenyl-2-oxazolecarbamate (I), was determined as 2-phenyl-6-(5-phenyl-2-oxazolyl) oxazolo [3,2-a] [1,3,5] triazine-5,7-dione (IV) by X-ray analysis. The crystal is triclinic, space group P1 with the following unit cell dimensions : a=8.472(3), b=13.498(3), c=7.808(2) A, α=97.53(2)°, β=104.07(3)°, γ=80.58(2)° and Z=2. The structure was solved by a direct method and refined by the least-squares method to R=0.057. No hydrogen bonding was observed in the crystal. The molecules were held together by the normal van der Waals contacts especially by the prominent stacking interaction between the oxazolotriazine moiety and neighboring benzene rings.
- 公益社団法人日本薬学会の論文
- 1982-02-25
著者
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田中 千秋
Osaka University of Pharmaceutical Sciences
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石田 寿昌
Osaka University of Pharmaceutical Sciences
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柴田 恵
Osaka College Of Pharmacy
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井上 正敏
Osaka University of Pharmaceutical Sciences
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田中 千秋
Osaka College Of Pharmacy
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井上 正敏
Department Of Physical Chemistry Osaka University Of Pharmaceutical Sciences
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