(4-Methylphenyl)[1-(4-methylphenyl)-3-(5-nitro-2-furyl)-1H-pyrazol-4-yl]methanone

Content Provider	Semantic Scholar
Author	Fun, Hoong-Kun Nithinchandra Rai, Nooji Satheesh Kalluraya, Balakrishna
Copyright Year	2009
Abstract	In the title pyrazole compound, C(22)H(17)N(3)O(4), an intra-molecular C-H⋯O contact generates a seven-membered ring, producing an S(7) ring motif. The furan and pyrazole rings are essentially planar [maximum deviations = 0.004 (1) and 0.004 (2) Å, respectively] and are almost coplanar, making a dihedral angle of 3.75 (10)°. One of the methyl-phenyl groups is inclined to the pyrazole ring, as indicated by the dihedral angle of 48.41 (9)°. In the crystal structure, mol-ecules are linked into chains along [10] by C-H⋯O contacts. The crystal structure is further stabilized by π-π inter-actions [centroid-centroid distance = 3.4437 (10) Å].
Starting Page	o3099
Ending Page	o3100
Page Count	2
File Format	PDF HTM / HTML
DOI	10.1107/S1600536809047758
PubMed reference number	21578827
Journal	Medline
Volume Number	65
Alternate Webpage(s)	http://ftp.ncbi.nlm.nih.gov/pub/pmc/58/94/e-65-o3099.PMC2972131.pdf
Alternate Webpage(s)	https://doi.org/10.1107/S1600536809047758
Journal	Acta crystallographica. Section E, Structure reports online
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article