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

ABSTRACT: In the title mol-ecule, C(20)H(13)N(3)S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.045?Å and a maximum deviation of 0.090?(2)?Å from the mean plane for the triazole ring C atom which is bonded to the thio-phene ring. The phenyl ring is twisted by 52.0?(1)° with respect to the mean plane of the triazoloisoquinoline ring system. The thio-phene ring is rotationally disordered by approximately 180° over two sites, the ratio of refined occupancies being 0.73?(1):0.27?(1).

SUBMITTER: Khan FN

PROVIDER: S-EPMC2979772 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

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

Khan F Nawaz FN Manivel P P Prabakaran K K Hathwar Venkatesha R VR Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20100130 Pt 2

In the title mol-ecule, C(20)H(13)N(3)S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.045 Å and a maximum deviation of 0.090 (2) Å from the mean plane for the triazole ring C atom which is bonded to the thio-phene ring. The phenyl ring is twisted by 52.0 (1)° with respect to the mean plane of the triazoloisoquinoline ring system. The thio-phene ring is rotationally disordered by approximately 180° over two sites, the ratio of refined occupancies bei ...[more]

PMID: 21579895

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