Crystal and molecular structure of (Z)-2-(1,3-benzothiazol-2-yl)-2-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ylidene)ethanonitrile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

Crystal and molecular structure of (Z)-2-(1,3-benzothiazol-2-yl)-2-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ylidene)ethanonitrile

Authors:	Osvaldo Cox Yong J. Li Yan Gao Wigberto J. Hernández

Affiliation:	(1) Department of Chemistry, University of Puerto Rico, Río Piedras, P.O. Box 23346, 00931 Puerto Rico

Abstract:	The title compound C₂₀H₁₆N₂S is crystallized in the monoclinic space groupP2₁/c with cell parametersa=10.663(4),b=17.585(9),c=9.418(5)Å,=115.23°(4),V=1598(3)Å³,Z=4. The structure was refined by full-matrix least-squares methods using X-ray data set collected at room temperature. A finalR_F=0.033 andR_w=0.048 for 2225 unique reflections withI> 3(I) and 272 variables was obtained. The X-ray crystallographic study establishes theZ stereochemistry of the title compound.

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