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2-Chloro-N-[3-cyano-1-(3,4-dichloro-phen-yl)-1H-pyrazol-5-yl]acetamide.

ABSTRACT: In the title compound, C(12)H(7)Cl(3)N(4)O, the dihedral angle between the pyrazole and benzene rings is 35.6 (3)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds generating C(4) chains propagating in [100].

SUBMITTER: Li M

PROVIDER: S-EPMC3344093 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-Chloro-N-{3-cyano-1-[2,6-dichloro-4-(trifluoro-meth-yl)phen-yl]-1H-pyrazol-5-yl}acetamide.

Project description:The title compound, C(13)H(6)Cl(3)F(3)N(4)O, was synthesized by the reaction of 5-amino-1-[2,6-dichloro-4-(trifluoro-meth-yl)phen-yl]-1H-pyrazole-3-carbonitrile and 2-chloro-acetyl chloride. The five-membered pyrazole ring makes a dihedral angle of 71.5?(3)° with the benzene ring. The -CF(3) group is disordered by rotation, and the F atoms are split over two sets of sites with occupancies of 0.59?(2) and 0.41?(2). The crystal structure features weak C-H?O and N-H?N inter-actions involving the carbonyl and cyano groups as acceptors.

| S-EPMC3254452 | biostudies-literature

2-Chloro-N-[1-(4-chloro-phen-yl)-3-cyano-1H-pyrazol-5-yl]acetamide.

Project description:The title compound, C(12)H(8)Cl(2)N(4)O, was synthesized by the reaction of 5-amino-1-(4-chloro-phen-yl)-1H-pyrazole-3-carbonitrile and 2-chloro-acetyl chloride. The dihedral angle between the pyrazole and benzene rings is 30.7?(3)°. In the crystal structure, strong N-H?O hydrogen bonds link the mol-ecules into chains along [001]. C-H?N hydrogen bonds are also present.

| S-EPMC3515326 | biostudies-literature

2-(3,4-Dichloro-phen-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide.

Project description:In the title compound, C19H17Cl2N3O2, there are three mol-ecules (A, B and C) in the asymmetric unit and each differs in the conformation adopted. As a result of steric repulsion, the amide group is rotated with respect to both the dichloro-phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings, making dihedral angles of 44.5?(2) and 56.2?(2)°, respectively in A, 51.1?(2) and 54.1?(2)° in B, and 53.8?(2) and 54.6?(2)° in C. The dihedral angles between the dichloro-phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings are 54.8?(2), 76.2?(2) and 77.5?(2)° in mol-ecules A, B and C, respectively, while the 2,3-dihydro-1H-pyrazol-4-yl and phenyl rings make dihedral angles of 45.3?(2), 51.2?(2) and 42.8?(2)°, respectively. In the crystal, two of the mol-ecules are linked through N-H?O hydrogen bonding to an adjoining mol-ecule, forming dimers of the R2(2)(10) type, while the third mol-ecule forms such dimers with itself. C-H?O inter-actions link the dimers.

| S-EPMC3588482 | biostudies-literature

2,2-Dichloro-N-(3,4-dimethyl-phen-yl)acetamide.

Project description:In the title compound, C(10)H(11)Cl(2)NO, the N-H bond is syn to the 3-methyl substituent in the aromatic ring, similar to that observed in N-(3,4-dimethyl-phen-yl)acetamide and to the 3-chloro substituent in 2,2-dichloro-N-(3,4-dichloro-phen-yl)acetamide, and contrasting with the anti conformation observed for the 3-methyl substituent in 2,2,2-trichloro-N-(3,4-dimethyl-phen-yl)acetamide. On the other hand, it is anti to the C=O bond. An inter-molecular N-H?O hydrogen bond links mol-ecules into infinite chains along the b axis.

| S-EPMC2969347 | biostudies-literature

2-Chloro-N-(2,5-dichloro-phen-yl)acetamide.

Project description:The conformation of the N-H bond in the structure of the title compound, C(8)H(6)Cl(3)NO, is anti to the C=O bond. The N-H H atom shows close intra-molecular N-H?Cl hydrogen bonds with both the ring Cl atom in the ortho position and the side-chain Cl atom. The mol-ecules crystallize in planes parallel to (221).

| S-EPMC2969621 | biostudies-literature

2-Chloro-N-(2,4-dichloro-phen-yl)-acetamide.

Project description:The structure of the title compound, C(8)H(6)Cl(3)NO, contains two mol-ecules in the asymmetric unit. In each independent mol-ecule, the conformation of the N-H bond is almost syn to the ortho-chloro substituent and the conformation of the C=O bond is anti to the N-H bond. The mol-ecules in the crystal structure are linked into supra-molecular chains through N-H?O hydrogen bonding along the a axis.

| S-EPMC2969726 | biostudies-literature

2-Chloro-N-(2,3-dichloro-phen-yl)acetamide.

Project description:The conformation of the N-H bond in the title compound (23DCPCA), C(8)H(6)Cl(3)NO, is syn to both the 2- and 3-chloro substituents in the aromatic ring, similar to the 2-chloro substituent in 2-chloro-N-(2-chloro-phen-yl)acetamide (2CPCA), the 2- and 3-chloro substituents in N-(2,3-dichloro-phen-yl)acetamide (23DCPA) and in 2,2-dichloro-N-(2,3-dichloro-phen-yl)acetamide (23DCPDCA). The bond parameters in 23DCPCA are similar to those in 2-chloro-N-(phen-yl)acetamide, 2CPCA, 23DCPA, 23DCPDCA and other acetanilides. The mol-ecules in 23DCPCA are linked into chains through N-H⋯O hydrogen bonding.

| S-EPMC2960157 | biostudies-literature

2-Chloro-N-(3,5-dichloro-phen-yl)acetamide.

Project description:The structure of the title compound, C(8)H(6)Cl(3)NO, is closely related to that of N-(3,5-dichloro-phen-yl)acetamide and other amides. The mol-ecular skeleton is essentially planar. The mol-ecules in the crystal structure are stabilized by N-H⋯O and N-H⋯Cl inter-molecular hydrogen bonds running along the a axis.

| S-EPMC2960189 | biostudies-literature

2-Chloro-N-(3,4-dimethyl-phen-yl)acetamide.

Project description:The conformation of the C=O bond in the structure of the title compound, C(10)H(12)ClNO, is anti to the N-H bond and to the methyl-ene H atoms in the side chain in both the independent mol-ecules comprising the asymmetric unit. However, the conformation of the N-H bond is syn to the meta-methyl substituent in the aromatic ring of one of the mol-ecules and anti in the other mol-ecule. The two independent mol-ecules are linked through inter-molecular N-H?O hydrogen bonding into chains parallel to the b axis.

| S-EPMC2977707 | biostudies-literature

2-(2,4-Dichloro-phen-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide.

Project description:In the crystal structure of the title compound, C19H17Cl2N3O2, the mol-ecules form dimers of the R2(2)(10) type through N-H?O hydrogen bonding. As a result of steric repulsion, the amide group is rotated with respect to both the dichloro-phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings, making dihedral angles of 80.70?(13) and 64.82?(12)°, respectively. The dihedral angle between the dichloro-phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings is 48.45?(5)° while that between the 2,3-dihydro-1H-pyrazol-4-yl and phenyl rings is 56.33?(6)°.

| S-EPMC3588232 | biostudies-literature

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