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


Autoria(s): Khan, Nawaz F; Manivel, P; Prabakaran, K; Hathwar, Venkatesha R; Akkurt, Mehmet
Data(s)

01/05/2010

Resumo

In the title molecule, C23H14N4, the triazoloisoquinoline ring system is nearly planar, with an r.m.s. deviation of 0.038 (2) angstrom and a maximum deviation of -0.030 (2) angstrom 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)degrees, respectively, with respect to the mean plane of the triazoloisoquinoline ring system. In the crystal structure, molecules are linked by weak aromatic pi-pi interactions [centroid-centroid distance = 3.8074 (12) angstrom]. In addition, the crystal structure exhibits a nonclassical intermolecular C-H center dot center dot center dot N hydrogen bond.

Formato

application/pdf

Identificador

http://eprints.iisc.ernet.in/28073/1/rk2199.pdf

Khan, Nawaz F and Manivel, P and Prabakaran, K and Hathwar, Venkatesha R and Akkurt, Mehmet (2010) 4-(5-Phenyl-1,2,4-triazolo[3,4-a]isoquinolin--yl)benzonitrile. In: Acta Crystallographica Section E, 66 (Part 5). O1081-U128.

Publicador

International Union of Crystallography

Relação

http://journals.iucr.org/e/issues/2010/05/00/issconts.html

http://eprints.iisc.ernet.in/28073/

Palavras-Chave #Solid State & Structural Chemistry Unit
Tipo

Journal Article

PeerReviewed