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3-(4-Chloro-phen-yl)-5-phenyl-1,2,4-triazolo[3,4-a]isoquinoline.

ABSTRACT: In the title mol-ecule, C(22)H(14)ClN(3), the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.033?(2)?Å and a maximum departure from the mean plane of 0.062?(1)?Å for the triazole ring C atom, bonded to the benzene ring. The benzene and phenyl rings are twisted by 57.02?(6) and 62.16?(6)°, respectively, to the mean plane of the triazoloisoquinoline ring system. The mol-ecule is stabilized by a weak intra-molecular ?-? inter-action [centroid-centroid distance = 3.7089?(10)?Å] between the benzene and phenyl rings. In the crystal structure, weak inter-molecular C-H?N hydrogen bonds and C-H?? inter-actions link the mol-ecules.

SUBMITTER: Khan FN

PROVIDER: S-EPMC2979237 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

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3-(4-Chloro-phen-yl)-5-phenyl-1,2,4-triazolo[3,4-a]isoquinoline.

Khan F Nawaz FN Manivel P P Prabakaran K K Hathwar Venkatesha R VR Akkurt Mehmet M

Acta crystallographica. Section E, Structure reports online 20100417 Pt 5

In the title mol-ecule, C(22)H(14)ClN(3), the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.033 (2) Å and a maximum departure from the mean plane of 0.062 (1) Å for the triazole ring C atom, bonded to the benzene ring. The benzene and phenyl rings are twisted by 57.02 (6) and 62.16 (6)°, respectively, to the mean plane of the triazoloisoquinoline ring system. The mol-ecule is stabilized by a weak intra-molecular π-π inter-action [centroid-centroid distan ...[more]

PMID: 21579147

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