Research Article: 4-(5-Phenyl-1,2,4-triazolo[3,4-a]isoquinolin-3-yl)benzonitrile

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/S1600536810013012

Abstract

In the title mol­ecule, C23H14N4, the triazoloisoquinoline ring system is nearly planar, with an r.m.s. deviation of 0.038 (2) Å and a maximum deviation of −0.030 (2) Å from the mean plane of the triazole ring C atom which is bonded to the benzene ring. The benzene and phenyl rings are twisted by 57.65 (8) and 53.60 (9)°, respectively, with respect to the mean plane of the triazoloisoquinoline ring system. In the crystal structure, mol­ecules are linked by weak aromatic π–π inter­actions [centroid–centroid distance = 3.8074 (12) Å]. In addition, the crystal structure exhibits a nonclassical inter­molecular C—H⋯N hydrogen bond.

Partial Text

For a related crystal structure, see: Khan et al. (2010 ▶).

 

Source:

http://doi.org/10.1107/S1600536810013012

 

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