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

ABSTRACT: In the title compound, C(21)H(14)ClN(3)O(5), an intra-molecular C-H?O hydrogen bond generates an S(7) ring motif and the furan and pyrazole rings are almost coplanar, making a dihedral angle of 1.98?(5)°. The pyrazole ring is inclined at dihedral angles of 47.59?(4) and 7.27?(4)° to the chloro-phenyl and methoxy-phenyl groups, respectively. The nitro group is almost coplanar to its attached furan ring [dihedral angle = 2.03?(12)°]. In the crystal, inter-molecular C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. The crystal structure also features short inter-molecular O?N [2.8546?(12)?Å] and Cl?O [3.0844?(9)?Å] contacts as well as aromatic ?-? stacking inter-actions [centroid-centroid distance = 3.4367?(6)?Å].

SUBMITTER: Goh JH

PROVIDER: S-EPMC2979246 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

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(4-Chloro-phen-yl)[1-(4-methoxy-phen-yl)-3-(5-nitro-2-fur-yl)-1H-pyrazol-4-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 20100414 Pt 5

In the title compound, C(21)H(14)ClN(3)O(5), an intra-molecular C-H⋯O hydrogen bond generates an S(7) ring motif and the furan and pyrazole rings are almost coplanar, making a dihedral angle of 1.98 (5)°. The pyrazole ring is inclined at dihedral angles of 47.59 (4) and 7.27 (4)° to the chloro-phenyl and methoxy-phenyl groups, respectively. The nitro group is almost coplanar to its attached furan ring [dihedral angle = 2.03 (12)°]. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mo ...[more]

PMID: 21579120

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

Project description: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].

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

Project description: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].

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Project description:The title compound, C21H12Cl2N2O3, is a 1,4-diaroyl pyrazole derivative and has three aromatic rings. The dihedral angles between the naphthalene ring system and the pyrazole ring, the pyrazole and phenyl rings and the naphthalene ring system and the phenyl ring are 49.44?(13), 49.87?(16) and 0.58?(11)°, respectively. The phenolic proton forms an intra-molecular O-H?O hydrogen bond with an adjacent carbonyl O atom. In the crystal, the mol-ecules are linked through stacking inter-actions between the pyrazole rings [centroid-centroid distances = 3.546?(3)] and between the naphthalene ring system and the phenyl ring [centroid-centroid distances = 3.609?(4)?Å] along the a-axis direction. The mol-ecules are further connected through C-H?O hydrogen bonds, forming inversion dimers.

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1-(4-Chloro-phen-yl)-1H-pyrazol-3-ol.

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(Z)-1-(2-Chloro-phen-yl)-3-methyl-4-[2-(4-nitro-phen-yl)hydrazin-1-yl-idene]-1H-pyrazol-5(4H)-one.

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1-(4-Methoxy-phen-yl)-3-phenyl-1H-pyrazol-5-amine.

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