第6卷‧第2期,
198204
, pp. 162-165
第三丁基乙醯胺之晶體構造
- 作者:
王進龍; 唐嘉濱; 許宗雄; 藍始立
- 作者服務機構:
中山科學院化學研究所; 國立清華大學分子生物研究所
- 中文摘要:
第三丁基乙醯胺之晶體屬單斜晶系,空間群為I /c,Z=4,a= 5.255(1),b=10.325(1)c = 13.037(2),β=81.73(2)°,計算密度1.llg cm 。其晶體構造由直接法解得,1271個繞射數據之最小平方差精算所得之誤差指數R= 0.085,其晶體構造特徵,包括由氫鍵結合而成之雙體構造,烷基與乙醯胺基之相對位置,及乙醯胺C-O鍵長等,皆與乙基乙醯胺晶體相似。
- 英文摘要:
tert-Butyl carbamate, C H N0 , crystallizes in monoclinic space group P2 /c with Z = 4, a =5.255(1) , b = 10.325(1) , c= 13.037(2) , β= 81.73(2) , and D = 1.11 gcm . Intensity data wereobtained on a singlecrystal diffractometer with Ni-filtered CuKα radiation. The structure was solved bydirect methods and refined by full-matrix least-squares to R = 0.085 for 1288 independent reflections.The general structural features of the crystal resemble those of ethyl carbamate, including the depositionof O-substituent relative to carbamate group, the alkyl and amidic C-O bond lengths, and the hydrogen-bonded dimeric structure.
- 中文關鍵字:
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- 英文關鍵字:
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