Crystal and molecular structure of 1,6-dimethyl-3,6-dimethoxy-3-[(N-methylindol-3-yl)methyl] piperazine-2,5-dione,C18H23N3O4期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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Crystal and molecular structure of 1,6-dimethyl-3,6-dimethoxy-3-[(N-methylindol-3-yl)methyl] piperazine-2,5-dione,C18H23N3O4

Authors:	J M M Smits P T Beurskens R Plate H C J Ottenheijm

Institution:	(1) Crystallography Laboratory, University of Nijmegen, Toernooiveld, 6525 ED Nijmegen, The Netherlands;(2) Department of Organic Chemistry, University of Nijmegen, Toernooiveld, 6525 ED Nijmegen, The Netherlands

Abstract:	The structure of the title compound, C₁₈H₂₃N₃O₄, was determined by X-rays.M _r=344.40, triclinic, space groupP¯1,a=8.163(4),b=9.230(2),c=13.297(2) Å,=102.70(2),=103.58(3)°,=102.50(3)°,V=911.3 Å³,Z=2,D _c=1.26 Mg m^–3. CuK radiation (graphite crystal monochromator,=1.54178 Å),(CuK)=7.50 cm^–1,T=290 K. Final conventionalR-factor=0.068,R _w=0.079 for 1912 unique reflections and 295 variables. The structure was solved usingMultan andDirdif. The title compound is the first example of a 3,6-tetrasubstituted dioxopiperazine adopting a folded conformation, owing to a direct interaction between the dioxopiperazine ring and the aromatic side chain.

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