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

Abdelkhalek Riahi¹  Jean-Claude Daran²  My Youssef Ait Itto³  Auhmani Abdelwahed³  Abdellah N'ait Ousidi³  Aziz Auhmani³ 

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

关键词: crystal structure;    absolute structure;    heterocyclic compounds;    thiazolidinone;    indazole;    C—H...O hydrogen bonding;    C—H...π interactions;   

DOI  :  10.1107/S2056989016002498

来源: DOAJ

【 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】

Unknown