2D-NMR: Part VI. 2D-INADEQUATE spectral analysis and crystal structure of tricyclo[7.3.1.02,7]tridecane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

2D-NMR: Part VI. 2D-INADEQUATE spectral analysis and crystal structure of tricyclo[7.3.1.02,7]tridecane

Authors:	Gerhard Buchbauer Angela Fischlmayr Ernst Haslinger Wolfgang Robien Horst Völlenkle Carla Wassmann

Affiliation:	(1) Institute of Pharmaceutical Chemistry, University of Vienna, A-1090 Wien, Austria;(2) Institute of Organic Chemistry, University of Vienna, A-1090 Wien, Austria;(3) Institute of Mineralogy, Crystallography and Structural Chemistry, Technical University of Vienna, A-1060 Wien, Austria

Abstract:	2-Hydroxy-13-oxo-tricyclo[7.3.1.0^2,7]tridecane derivatives can be obtained by reaction of cyclohexanone with alcohols under alkaline conditions. The unambiguous assignment of all signals of the¹H-NMR- and¹³C-NMR-spectrum is possible by 2D-¹H-¹³C-shift correlation and 2D-INADEQUATE. Compound1 crystallizes in space group P2₁/n witha=8.518 (1),b=14.789 (2),c=19.321 (2) Å, =94.91 (1)°,Z=8,D_c=1.22 Mg cm^–3. The structure refined toR=0.100 andR_w=0.097 for 1719 observed reflections. Two independent molecules form centrosymmetric hydrogen-bonded dimers.Part V:Haslinger E.,Kalchhau-ser H.,Robien W.,Steindl H., Monatsh. Chem.115, 597 (1984).

Keywords:	2-Hydroxy-13-oxo-tricyclo[7.3.1.0^2,7]tridecane 2D-NMR ¹H-¹³C-Shiftcorrelation NADEQUATE Crystal structure
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