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1-[(6-Chloro-3-pyrid-yl)meth-yl]-N-(4-ethoxy-phen-yl)-3-phenyl-1H-pyrazole-5-carboxamide.

ABSTRACT: In the title compound, C(24)H(21)ClN(4)O(2), the pyrazole ring makes dihedral angles of 7.70 (11), 89.17 (11) and 40.68 (11)° with the phenyl, pyridine and ethoxy-phenyl rings, respectively. There are some intra-molecular C-H⋯O and C-H⋯π bonds giving rigidity to the mol-ecule, while weak inter-molecular N-H⋯N and C-H⋯π hydrogen bonds link the mol-ecules into a two-dimensional structure.

SUBMITTER: Tang Z

PROVIDER: S-EPMC2968942 | biostudies-literature |

REPOSITORIES: biostudies-literature

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N-[4-Chloro-2-methyl-6-(N-methyl-car-bam-oyl)phen-yl]-1-(3-chloro-2-pyrid-yl)-3-trifluoro-meth-yl-1H-pyrazole-5-carboxamide.

Project description:In the title compound, C(19)H(14)Cl(2)F(3)N(5)O(2), which shows insecticidal activity, the dihedral angle between the pyrazole and pyridine rings is 68.15 (16)°. In the crystal structure, the mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds and an intra-molecular N-H⋯O inter-action also occurs. The F atoms of the -CF(3) group are disordered over two sets of sites in a 0.800 (8):0.200 (8) ratio.

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3-(4-Meth-oxy-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde.

Project description:Four independent mol-ecules comprise the asymmetric unit of the title compound, C(17)H(14)N(2)O(2). The central pyrazoline ring is flanked by an N-bound benzene ring and a C-bound meth-oxy-substituted benzene ring. The greatest difference between the independent mol-ecules is found in the relative orientations of the benzene rings with the range of dihedral angles being 23.59?(6)-42.55?(6)°. In the crystal, extensive C-H?O inter-actions link mol-ecules into layers parallel to (02[Formula: see text]) and these are linked by C-H?? contacts.

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5-(4-Chloro-phen-yl)-1-(2,4-dichloro-phen-yl)-4-methyl-N-(3-pyridylmeth-yl)-1H-pyrazole-3-carboxamide.

Project description:In the title compound, C(23)H(17)Cl(3)N(4)O, the benzene rings are oriented with respect to the pyrazole ring at dihedral angles of 39.9 (2) and 72.90 (13)° for the chloro-phenyl and di-chloro-phenyl rings, respectively. Inter-molecular C-H⋯N and C-H⋯Cl inter-actions are observed in the crystal packing.

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4-[(Ethoxy-imino)(phen-yl)meth-yl]-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:In the mol-ecule of the title compound, C(19)H(19)N(3)O(2), the central pyrazole ring makes dihedral angles of 9.89?(3) and 66.06?(5)° with the two phenyl rings, and the two phenyl rings form an angle of 74.05?(5)°. An intra-molecular C-H?O hydrogen bond forms a six-membered ring, producing an S(6) ring motif. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link each mol-ecule to two others, forming an infinite one-dimensional supra-molecular structure along the c axis.

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3,5-Bis(4-meth-oxy-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.

Project description:In the title compound, C(23)H(22)N(2)O(2), the central pyrazole ring is nearly planar (r.m.s. deviation = 0.046 Å) and it makes a dihedral angle of 18.5 (2)° with the phenyl ring. The dihedral angles between the phenyl and the two meth-oxy-substituted phenyl rings are 26.2 (2) and 80.6 (2)°. The crystal structure is stabilized by C-H⋯π stacking inter-actions and weak π-π inter-actions [centriod-centroid distance = 3.891 (2) Å].

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5-Chloro-N-{4-oxo-2-[4-(trifluoro-meth-yl)phen-yl]-1,3-thia-zolidin-3-yl}-3-phenyl-1H-indole-2-carboxamide.

Project description:In the title compound, C(25)H(17)ClF(3)N(3)O(2)S, the five-membered 1,3-thia-zolidine ring adopts a twist conformation. The three F atoms of the CF(3) group are disordered over two sets of sites with refined occupancies of 0.542?(18) and 0.458?(18). In the nine-membered 1H-indoline ring system, the 1H-pyrrole ring forms a dihedral angle of 4.7?(2)° with the benzene ring, while it is twisted at an angle of 46.5?(2)° with respect to the attached phenyl ring. The dihedral angle between the phenyl and trifluoro-methyl-substituted benzene rings is 56.0?(2)°. In the crystal, N-H?O hydrogen bonds connect the mol-ecules into a three-dimensional network. In addition, weak C-H?O hydrogen bonds and weak C-H?? inter-actions are observed.

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1-[4-Chloro-3-(trifluoro-meth-yl)phen-yl]-4-phenyl-1H-1,2,3-triazole.

Project description:In the title compound, C(15)H(9)ClF(3)N(3), the phenyl and chloro-trifluoro-methyl benzene rings are twisted with respect to the planar triazole group, making dihedral angles of 21.29?(12) and 32.19?(11)°, respectively. In the crystal, the mol-ecules pack in a head-to-tail arrangement along the a axis with closest inter-centroid distances between the triazole rings of 3.7372?(12)?Å.

| S-EPMC3515254 | biostudies-literature

3-(4-Chloro-phen-yl)-1-[(E)-1-(4-chloro-phen-yl)-2-(4-methyl-phenyl-sulfan-yl)ethen-yl]-4-(4-methyl-phenyl-sulfan-yl)-1H-pyrazole.

Project description:In the title compound, C(31)H(24)Cl(2)N(2)S(2), the pyrazole ring adopts planar conformation with a maximum deviation of 0.002?(2)?Å. The chloro-phenyl rings are twisted out of the plane of the pyrazole ring by 75.1?(1) and 39.5?(1)°. The crystal packing is controlled by weak intermolecular C-H?? interactions.

| S-EPMC2971206 | biostudies-literature

3-(3-Chloro-2-hy-droxy-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde.

Project description:In the title compound, C(16)H(11)ClN(2)O(2), the pyrazole ring makes dihedral angles of 11.88?(13) and 22.33?(13)° with the 3-chloro-2-hy-droxy-benzene group and phenyl rings, respectively. The phenolic hy-droxy group forms an intra-molecular O-H?N hydrogen bond with the imine N atom of the pyrazole unit. The formyl group is virtually coplanar with the pyrazole ring [dihedral angle = 4.5?(19)°] and acts as an acceptor in an intra-molecular C-H?O hydrogen bond closing seven-membered ring. In the crystal, adjacent mol-ecules are linked through C-H?O hydrogen bonds into infinite chains along the b axis.

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Ethyl 5-(ethoxy-carbon-yl)-3-(4-methoxy-phen-yl)-1H-pyrazole-1-acetate.

Project description:In the title compound, C(17)H(20)N(2)O(5), all bond lengths and angles show normal values. The dihedral angle between the pyrazole ring and the benzene ring is 6.98?(11)°. The mol-ecules are linked by inter-molecular C-H?? inter-actions.

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