1,3-Thiazepines. 3.* Conformational dynamics of 2-aminotetrahydro and 2-iminohexahydro derivatives of 1,3-thiazepine

Synthesis of new 1,3‐thiazepine derivatives

“…In its crystal structure two conformations of thiazepine ring are stabilized. The disorder of S1 and C4 atoms results in twist chair (TC) and deformed boat (B) conformers which are energetically nearly equivalent [28]. The major component (TC) with the population of about 88 % is presented on Figure 2.…”

Molecular and crystal structure characteristics of 2-phenylaminotetrahydro-1,3-thiazepine hydrochloride and 2-phenyliminohexahydro-1,3-thiazepine

“…The single-crystal X-ray diffraction method plays an important role to attribute a reaction product to an imine form [8]. Furthermore, the spatial arrangement of the atoms and the conformation of the seven-membered ring, which was obtained by X-ray diffraction analysis [8] or theoretical methods [12], is of great importance for amine-imine tautomeric chemistry. But only a few compounds that include the 1,3-thiazepine ring containing (with Refcodes in CCDC [13]: BEVNEW [14], BEVNIA [14], JEPYOS [15], QIBMET [16], QIBMET01, QIBMET02, QIBMET03, QIBMET04 [17], QOZMUO [18], RENVOV [8], RENVIP [8], and YUKPIE [19]) were characterized by the single-crystal XRD method.…”