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The crystal and molecular structure of the cycloadduct from an activated carbodiimide and methyl isothiocyanate
Author(s) -
Schaumann Ernst,
Kausch Erwin,
Klaska KarlHeinz,
Klaska Rolf,
Jarchow Otto
Publication year - 1977
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.5570140526
Subject(s) - chemistry , isothiocyanate , carbodiimide , isopropyl , ring (chemistry) , crystal structure , allyl isothiocyanate , amine gas treating , stereochemistry , medicinal chemistry , organic chemistry
The crystal and molecular structures of the cycloadduct from isopropyl[α‐(dimethylthio‐carbamoyl)isopropyl]carbodiimide and methyl isothiocyanate were determined by single‐crystal X‐ray methods. The product was established to be 2‐(1‐isopropyl‐3,5‐dimethyl‐4,6‐dithioxo‐hexahydro‐1,3,5‐triazine‐2‐ylidenamino)‐ N,N ‐dimethylthioisoburyramide, in which contrary to expectations based on hybridisation the heterocyclic ring adopts a boat conformation.
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