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[3-(5-Nitro-2-fur-yl)-1-phenyl-1H-pyrazol-4-yl](phen-yl)methanone.

ABSTRACT: In the title pyrazole compound, C(20)H(13)N(3)O(4), an intra-molecular C-H?O hydrogen bond generates a seven-membered ring, producing an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum deviations of 0.002?(1) and 0.007?(1)?Å, respectively] are coplanar with each other, forming a dihedral angle of 3.06?(10)°. The pyrazole ring forms dihedral angles of 8.51?(9) and 56.81?(9)° with the two benzene rings. The nitro group is coplanar with the attached furan ring, as indicated by the dihedral angle of 2.5?(3)°. In the crystal packing, inter-molecular C-H?O hydrogen bonds link adjacent mol-ecules into two-mol-ecule-wide chains along the a axis. The crystal packing is further stabilized by weak inter-molecular C-H?? and ?-? inter-actions [centroid-centroid distance = 3.4441?(10)?Å].

SUBMITTER: Goh JH

PROVIDER: S-EPMC2979013 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

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[3-(5-Nitro-2-fur-yl)-1-phenyl-1H-pyrazol-4-yl](phen-yl)methanone.

Goh Jia Hao JH Fun Hoong-Kun HK Nithinchandra Kalluraya B B Rai N Satheesh NS

Acta crystallographica. Section E, Structure reports online 20100430 Pt 5

In the title pyrazole compound, C(20)H(13)N(3)O(4), an intra-molecular C-H⋯O hydrogen bond generates a seven-membered ring, producing an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum deviations of 0.002 (1) and 0.007 (1) Å, respectively] are coplanar with each other, forming a dihedral angle of 3.06 (10)°. The pyrazole ring forms dihedral angles of 8.51 (9) and 56.81 (9)° with the two benzene rings. The nitro group is coplanar with the attached furan ring, as indicate ...[more]

PMID: 21579253

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(4-Methyl-phen-yl)[3-(5-nitro-2-fur-yl)-1-phenyl-1H-pyrazol-4-yl]methanone.

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