Crystal structure of 2-[(3aS,6R)-3,3,6-trimethyl-3,3a,4,5,6,7-hexa­hydro-2H-indazol-2-yl]thia­zol-4(5H)-one

Acta Crystallographica Section E: Crystallographic Communications

Daran, J.-C.¹  Abdelwahed, A.⁴  Ousidi, A.N.'⁴  Itto, M.Y.A.⁶  Riahi, A.⁸  Auhmani, A.⁹ 

[1] des Sciences, Semlalia BP 2390, Marrakech 40001, Morocco;Institut de Chimie MoléLaboratoire de Chimie de Coordination, CNRS UPR8241, 205 route de Narbonne, 31077 Toulouse Cedex 04, France;Laboratoire de Physico-Chimie Moléculaire de Reims, CNRS UMR 7312, Bat. Europol'Agr, Moulin de la Housse, UFR Sciences, BP 1039, 51687 Reims Céculaire et Synthèdex 2, France;partement de Chimie, Facultése Organique, Dé

关键词: CRYSTAL STRUCTURE;    ABSOLUTE STRUCTURE;    HETEROCYCLIC COMPOUNDS;    THIAZOLIDINONE;    INDAZOLE;    C-H...O HYDROGEN BONDING;    C-H...[PI] INTERACTIONS;   

DOI  :  10.1107/S2056989016002498

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compound, C13H19N3OS, is a new thia­zolidin-4-one derivative prepared and isolated as the pure (3aS,6R)-diastereisomer from (R)-thio­semicarbazone pulegone. It crystallized with two independent mol­ecules (A and B) in the asymmetric unit. The compound is composed of a hexhydro­indazole ring system (viz. a five-membered di­hydro­pyrazole ring fused to a cyclo­hexyl ring) with a thia­zole-4-one ring system attached to one of the pyrazole N atoms (at position 2). The overall geometry of the two mol­ecules differs slightly, with the mean planes of the pyrazole and thia­zole rings being inclined to one another by 10.4 (1)° in mol­ecule A and 0.9 (1)° in mol­ecule B. In the crystal, the A and B mol­ecules are linked via C—H⋯O hydrogen bonds, forming slabs parallel to the ab plane. There are C—H⋯π inter­actions present within the layers, and between the layers, so forming a three-dimensional structure.

【 授权许可】

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