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4-[(Z)-(n-Butyl-amino)(phenyl)methyl-idene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

ABSTRACT: The title compound, C(21)H(23)N(3)O, exists in an enamine-keto form with the amino group involved in an intra-molecular N-H⋯O hydrogen bond. The dihedral angle between the phenyl rings is 73.59 (6)°. The five-membered ring is nearly planar, the largest deviation being 0.0004 (7) Å, and makes dihedral angles of 4.81 (6) and 69.81 (5)° wth the phenyl rings. In the crystal, pairs of weak C-H⋯O inter-actions link the mol-ecules into centrosymmetric dimers.

SUBMITTER: Wang HW

PROVIDER: S-EPMC3343944 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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4-[(Z)-(n-Butyl-amino)(phenyl)methyl-idene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Wang Hai-Wen HW

Acta crystallographica. Section E, Structure reports online 20120307 Pt 4

The title compound, C(21)H(23)N(3)O, exists in an enamine-keto form with the amino group involved in an intra-molecular N-H⋯O hydrogen bond. The dihedral angle between the phenyl rings is 73.59 (6)°. The five-membered ring is nearly planar, the largest deviation being 0.0004 (7) Å, and makes dihedral angles of 4.81 (6) and 69.81 (5)° wth the phenyl rings. In the crystal, pairs of weak C-H⋯O inter-actions link the mol-ecules into centrosymmetric dimers. ...[more]

PMID: 22590025

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