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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 | 2012 Apr

REPOSITORIES: biostudies-literature

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

Li Ming M Zhu Jing J Wei Hong-Xia HX Wang Jian-Qiang JQ Guo Cheng C

Acta crystallographica. Section E, Structure reports online 20120324 Pt 4

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]. ...[more]

PMID: 22606096

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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.

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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.

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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).

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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-(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-(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-(4-Chloro-phen-yl)-4-[1-(4-chloro-phen-yl)-3-methyl-1H-pyrazol-5-yl]-5-methyl-1H-pyrazol-3(2H)-one.

Project description:The title compound, C(20)H(16)Cl(2)N(4)O, has two mol-ecules in the asymmetric unit. The two five-membered rings form a dihedral angle of 54.2?(3)° in one mol-ecule and 56.8?(3)° in the other independent mol-ecule. The amino group of the dihydro-pyrazolone unit of one mol-ecule acts as a hydrogen-bond donor to the carbonyl group of the dihydro-pyrazolone system of the other mol-ecule. The resulting N-H?O hydrogen bonds generate a chain running along the c axis. The crystal selected was a pseudo-merohedral twin with a 44.9?(3)% twin component.

| S-EPMC2983162 | biostudies-other

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