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

ABSTRACT: 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.

SUBMITTER: Rabnawaz M

PROVIDER: S-EPMC2983162 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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

Rabnawaz Muhammad M Raza Shah Muhammad M Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20100915 Pt 10

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- ...[more]

PMID: 21587554

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