C2ClNOS-1

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Chlorocarbonylisothiocyanate, ClC(O)NCS

Structure

GED

According to [RamosJPCA2013]Author: Ramos, Luis A.; Ulic, Sonia E.; Romano, Rosana M.; Erben, Mauricio F.; Vishnevskiy, Yury V.; Reuter, Christian G.; Mitzel, Norbert W.; Beckers, Helmut; Willner, Helge; Zeng, Xiaoqing; Bernhardt, Eduard; Ge, Maofa; Tong, ShengRui; Védova., Carlos O. Della
Journal: The Journal of Physical Chemistry A
Number: 11
Pages: 2383-2399
Title: Spectroscopic Characterization and Constitutional and Rotational Isomerism of ClC(O)SCN and ClC(O)NCS
Url: http://pubs.acs.org/doi/abs/10.1021/jp400281g
Volume: 117
Year: 2013
Link to Google Scholar
the compound in gas phase at 275(2) K exists as a mixture of anti (84(6) %) and syn (16(6) %) conformers.

Experimental re structure of anti conformer:

Experimental re structure of syn conformer: