title: Crystal structure of 2-[(3aS,6R)-3,3,6-trimethyl-3,3a,4,5,6,7-hexa-hydro-2H-indazol-2-yl]thia-zol-4(5H)-one.
abstract: The title compound, C13H19N3OS, is a new thia-zolidin-4-one derivative prepared and isolated as the pure (3aS,6R)-diastereisomer from (R)-thio-semicarbazone pulegone. It crystallized with two independent mol-ecules (A and B) in the asymmetric unit. The compound is composed of a hexhydro-indazole ring system (viz. a five-membered di-hydro-pyrazole ring fused to a cyclo-hexyl ring) with a thia-zole-4-one ring system attached to one of the pyrazole N atoms (at position 2). The overall geometry of the two mol-ecules differs slightly, with the mean planes of the pyrazole and thia-zole rings being inclined to one another by 10.4 (1)° in mol-ecule A and 0.9 (1)° in mol-ecule B. In the crystal, the A and B mol-ecules are linked via C-H⋯O hydrogen bonds, forming slabs parallel to the ab plane. There are C-H⋯π inter-actions present within the layers, and between the layers, so forming a three-dimensional structure.
authors.affiliation: Laboratoire de Physico-Chimie Moléculaire et Synthèse Organique, Département de Chimie, Faculté des Sciences, Semlalia BP 2390, Marrakech 40001, Morocco.
authors.forename: Abdellah N'ait
authors.initials: AN
authors.lastname: Ousidi
authors.affiliation: Laboratoire de Physico-Chimie Moléculaire et Synthèse Organique, Département de Chimie, Faculté des Sciences, Semlalia BP 2390, Marrakech 40001, Morocco.
authors.forename: My Youssef Ait
authors.initials: MY
authors.lastname: Itto
authors.affiliation: Laboratoire de Physico-Chimie Moléculaire et Synthèse Organique, Département de Chimie, Faculté des Sciences, Semlalia BP 2390, Marrakech 40001, Morocco.
authors.forename: Aziz
authors.initials: A
authors.lastname: Auhmani
authors.affiliation: 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.
authors.forename: Abdelkhalek
authors.initials: A
authors.lastname: Riahi
authors.affiliation: Laboratoire de Chimie de Coordination, CNRS UPR8241, 205 route de Narbonne, 31077 Toulouse Cedex 04, France.
authors.forename: Jean-Claude
authors.initials: JC
authors.lastname: Daran
authors.affiliation: Laboratoire de Physico-Chimie Moléculaire et Synthèse Organique, Département de Chimie, Faculté des Sciences, Semlalia BP 2390, Marrakech 40001, Morocco.
authors.forename: Auhmani
authors.initials: A
authors.lastname: Abdelwahed
keywords: C—H⋯O hydrogen bonding; C—H⋯π inter­actions; absolute structure; crystal structure; heterocyclic compounds; indazole; thia­zolidinone