Title: A joint theoretical and experimental structural study of 5-carboxyethyl-3-(2 '-furfurylmethyl) tetrahydro-2H-1,3,5-thiadiazine-2-thione
Authors: Perez, R ×
Suarez, M
Ochoa, E
Rodriguez, H
Martin, N
Seoane, C
Novoa de Armas, Hector
Blaton, Norbert
Peeters, OM
De Ranter, Camiel #
Issue Date: Aug-2001
Publisher: Pergamon-elsevier science ltd
Series Title: Tetrahedron vol:57 issue:34 pages:7361-7367
Abstract: X-Ray analysis and semiempirical AM1 and ab initio HF/3-21G* and HF/6-31G* calculations reveal a favourable envelop conformation (A) for 3,5-disubstituted tetrahydro-2H-1,3,5-thiadiazines in which the N5 atom lies out of the main plane. NOE experiments show that this conformer (A) is also found in solution. (C) 2001 Elsevier Science Ltd. All rights reserved.
ISSN: 0040-4020
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Biocrystallography
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