4,5-Dihydrocyclopenta[b]thiophen-6-one

作者:Hanton Lyall R; Moratti Stephen C; Shi Zheng; Simpson Jim*
来源:Acta Crystallographica Section E-Structure Reports Online, 2012, 68: O371-U363.
DOI:10.1107/S1600536811056042

摘要

The title compound, C7H6OS, crystallizes with two similar molecules, 1 and 2, in the asymmetric unit. Both molecules are essentially planar with r.m.s. deviations of 0.0193 and 0.0107 angstrom for the planes through the nine non-H atoms of molecules 1 and 2, respectively. The thiophene and 4,5-dihydrocyclopentadienone rings are inclined at 2.40 (13)degrees in 1 and 0.64 (13)degrees in 2. In the crystal structure pi-pi [3.6542 (17) angstrom] and C-H center dot center dot center dot pi contacts stack the molecules into columns in an inverse fashion along the b axis. An extensive series of C-H center dot center dot center dot O hydrogen bonds links the columns, generating an extended network structure.

  • 出版日期2012-2