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Merck
CN

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

Acta crystallographica. Section E, Structure reports online (2010-01-01)
F Nawaz Khan, P Manivel, K Prabakaran, Venkatesha R Hathwar, Mehmet Akkurt
ABSTRACT

In the title mol-ecule, C(23)H(14)N(4), 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, mol-ecules are linked by weak aromatic π-π inter-actions [centroid-centroid distance = 3.8074 (12) Å]. In addition, the crystal structure exhibits a nonclassical inter-molecular C-H⋯N hydrogen bond.