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


ABSTRACT: In the title pyrazole compound, C(21)H(15)N(3)O(4), an intra-molecular C-H?O hydrogen bond generates an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum atomic deviations of 0.011?(2) and 0.006?(2)?Å, respectively] make a dihedral angle of 9.21?(11)°. The nitro group is approximately coplanar with the attached furan ring, as indicated by the dihedral angle of 4.5?(2)°. In the crystal structure, inter-molecular C-H?O inter-actions form bifurcated hydrogen bonds, generating R(1) (2)(7) ring motifs. These hydrogen bonds link the mol-ecules into infinite chains along the a axis. The crystal structure is further stabilized by weak inter-molecular ?-? inter-actions [centroid-centroid distance = 3.4118?(10)?Å].

SUBMITTER: Goh JH 

PROVIDER: S-EPMC2972143 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

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

Goh Jia Hao JH   Fun Hoong-Kun HK   Nithinchandra   Kalluraya B B  

Acta crystallographica. Section E, Structure reports online 20091114 Pt 12


In the title pyrazole compound, C(21)H(15)N(3)O(4), an intra-molecular C-H⋯O hydrogen bond generates an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum atomic deviations of 0.011 (2) and 0.006 (2) Å, respectively] make a dihedral angle of 9.21 (11)°. The nitro group is approximately coplanar with the attached furan ring, as indicated by the dihedral angle of 4.5 (2)°. In the crystal structure, inter-molecular C-H⋯O inter-actions form bifurcated hydrogen bonds, generatin  ...[more]

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