1-(3,5-Diethyl-1H-pyrazol-1-yl)-3-phenylisoquinoline


Autoria(s): Khan, Nawaz F; Manivel, P; Roopan, Mohana S; Hathwar, Venkatesha R; Akkurt, Mehmet
Data(s)

01/08/2010

Resumo

In the title molecule, C22H21N3, the isoquinoline ring is almost planar maximum deviation = 0.046 (1) A] and makes dihedral angles of 52.01 (4) and 14.61 (4)degrees with the pyrazole and phenyl rings, respectively. The phenyl ring and the pyrazole ring are twisted by 44.20 (6)degrees with respect to each other. The terminal C atoms of both of the ethyl groups attached to the pyrazole ring are disordered over two sites with occupancy ratios of 0.164 (7):0.836 (7) and 0.447 (16):0.553 (16). A weak intramolecular C-H...N contact may influence the molecular conformation. The crystal structure is stabilized by C-H...pi contacts involving the phenyl and pyrazole rings, and by pi-pi stacking interactions involving the pyridine and benzene rings centroid-centroid distance = 3.5972 (10) A].

Formato

application/pdf

Identificador

http://eprints.iisc.ernet.in/33466/1/reports.pdf

Khan, Nawaz F and Manivel, P and Roopan, Mohana S and Hathwar, Venkatesha R and Akkurt, Mehmet (2010) 1-(3,5-Diethyl-1H-pyrazol-1-yl)-3-phenylisoquinoline. In: Acta Crystallographica Section E, 66 (Part 8). O2063-U1614.

Publicador

International Union of Crystallography

Relação

http://scripts.iucr.org/cgi-bin/paper?S1600536810028059

http://eprints.iisc.ernet.in/33466/

Palavras-Chave #Solid State & Structural Chemistry Unit
Tipo

Journal Article

PeerReviewed