Crystal structure and anti-mycobacterial evaluation of 2-(cyclo-hexyl-meth-yl)-7-nitro-5-(tri-fluoro-meth-yl)benzo[d]iso-thia-zol-3(2H)-one.
Acta Crystallogr E Crystallogr Commun
; 79(Pt 12): 1194-1198, 2023 Dec 01.
Article
in En
| MEDLINE
| ID: mdl-38313133
ABSTRACT
The title compound, C15H15F3N2O3S, crystallizes in the monoclinic system, space group I2/a, with Z = 8. As expected, the nine-membered heterobicyclic system is virtually planar and the cyclo-hexyl group adopts a chair conformation. There is structural evidence for intra-molecular N-Sâ¯O chalcogen bonding between the benziso-thia-zolinone S atom and one O atom of the nitro group, approximately aligned along the extension of the covalent N-S bond [N-Sâ¯O = 162.7â
(1)°]. In the crystal, the mol-ecules form centrosymmetric dimers through C-Hâ¯O weak hydrogen bonding between a C-H group of the electron-deficient benzene ring and the benzo-thia-zolinone carbonyl O atom with an R 2 2(10) motif. In contrast to the previously described N-acyl 7-nitro-5-(tri-fluoro-meth-yl)benzo[d]iso-thia-zol-3(2H)-ones, the title N-cyclo-hexyl-methyl analogue does not inhibit growth of Mycobacterium aurum and Mycobacterium smegmatis in vitro.
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01-internacional
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MEDLINE
Language:
En
Journal:
Acta Crystallogr E Crystallogr Commun
/
Acta crystallographica. Section E, Crystallographic communications
Year:
2023
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Article
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