Structure of an eight-membered CN4S3 ring with the shortest known transannual s...s contact
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Date
1985
Authors
Boeré, René T.
Oakley, Richard T.
Cordes, A. Wallace
Journal Title
Journal ISSN
Volume Title
Publisher
International Union of Crystallography
Abstract
7-tert-Butyl-3-chloro- 1,3,5,2,4,6,8-trithiatetrazocine,
CsH9C1N4S 3, Mr= 256"8, tetragonal, P42/n,
a = 17.856 (2), c = 6.646 (1) A, V = 2118.9 (8)/k 3,
z=8, Dx= 1.61gcm -3, 2(MoKa)=0.71073A, #
=8.9cm -1, F(000)=1056, T=294K, final R=
0.049 for 1201 reflections. The molecule has a folded
butterfly structure, with almost planar SNCNS and
SNSNS fragments, and the C1 atom is endo. The
transannular S-S contact is 2.378 (2)A, the shortest
such distance in any thiazyl compound.
Description
Sherpa Romeo green journal
Keywords
Citation
Boere, R. T., Oakley, R. T., & Cordes, A. W. (1985). Structure of an eight-membered CN4S3 ring with the shortest known transannual s...s contact. Acta Crystallographica C, Crystal Structure Communications, C41, 1686-1687.