Research Article: 5-(4-Chloro­phen­yl)-3-(2,4-dimethyl­thiazol-5-yl)-1,2,4-triazolo[3,4-a]isoquinoline

Date Published: May 01, 2010

Publisher: International Union of Crystallography

Author(s): F. Nawaz Khan, P. Manivel, K. Prabakaran, Venkatesha R. Hathwar, Mehmet Akkurt.

http://doi.org/10.1107/S160053681001278X

Abstract

In the title mol­ecule, C21H15ClN4S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.054 (2) Å and a maximum deviation of 0.098 (2) Å from the mean plane for the triazole ring C atom that is bonded to the thia­zole ring. The thia­zole and benzene rings are twisted by 66.36 (7) and 56.32 (7)°, respectively, with respect to the mean plane of the triazoloisoquinoline ring system. In the crystal structure, mol­ecules are linked by inter­molecular C—H⋯N inter­actions along the a axis. The mol­ecular conformation is stabilized by a weak intra­molecular π–π inter­action involving the thia­zole and benzene rings, with a centroid–centroid distance of 3.6546 (11) Å. In addition, two other intermolecular π–π stacking inter­actions are observed, between the triazole and benzene rings and between the dihydro­pyridine and benzene rings [centroid–centroid distances = 3.6489 (11) and 3.5967 (10) Å, respectively].

Partial Text

For the synthesis and anti­helmintic activity of triazolo compounds similar to the title compound, see: Nadkarni et al. (2001 ▶). For related structures, see: Hui et al. (1999 ▶); Khan et al. (2010 ▶); Zou et al. (2004 ▶).

 

Source:

http://doi.org/10.1107/S160053681001278X

 

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