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

ABSTRACT: The synthesis of the title compound, C(16)H(15)N(3)O, is regiospecific and single-crystal X-ray diffraction provides the only means of unambiguous structural analysis, with the benzene ring bonded to the imine C atom. The phenyl ring and the essentially planar (r.m.s. deviation 0.0354?Å) methoxy-benzene group are rotated by 29.41?(5) and 37.01?(5)°, respectively, from the central pyrazole ring. An inter-molecular N-H?N hydrogen bond links symmetry-related mol-ecules into a C(5) chain, which runs parallel to the b axis.

SUBMITTER: Kumarasinghe IR

PROVIDER: S-EPMC2977835 | biostudies-other | 2009 Apr

REPOSITORIES: biostudies-other

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

Kumarasinghe Isuru R IR Hruby Victor J VJ Nichol Gary S GS

Acta crystallographica. Section E, Structure reports online 20090430 Pt 5

The synthesis of the title compound, C(16)H(15)N(3)O, is regiospecific and single-crystal X-ray diffraction provides the only means of unambiguous structural analysis, with the benzene ring bonded to the imine C atom. The phenyl ring and the essentially planar (r.m.s. deviation 0.0354 Å) methoxy-benzene group are rotated by 29.41 (5) and 37.01 (5)°, respectively, from the central pyrazole ring. An inter-molecular N-H⋯N hydrogen bond links symmetry-related mol-ecules into a C(5) chain, which runs ...[more]

PMID: 21583972

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