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N'-[(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(thio-phen-2-yl)methyl-idene]benzohydrazide.

ABSTRACT: In the title compound, C(22)H(18)N(4)O(2)S, the seven-membered ring generated by an intra-molecular N-H?O hydrogen bond adopts an envelope conformation in both of the two independent mol-ecules in the asymmetric unit. In the crystal, mol-ecules are linked into C(9) chains along [100] by N-H?O hydrogen bonds. The mol-ecules are also weakly linked by C-H?O and C-H?N inter-actions, forming dimers with edge-connected R(2) (2)(9) rings. The dimers are inter-linked by further weak C-H?N hydrogen bonds into chains along [010].

SUBMITTER: Zhu H

PROVIDER: S-EPMC3344500 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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N'-[(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(thio-phen-2-yl)methyl-idene]benzohydrazide.

Zhu Hualing H Zhu Jinhua J Bu Luxia L Shi Jun J Wang Juan J

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

In the title compound, C(22)H(18)N(4)O(2)S, the seven-membered ring generated by an intra-molecular N-H⋯O hydrogen bond adopts an envelope conformation in both of the two independent mol-ecules in the asymmetric unit. In the crystal, mol-ecules are linked into C(9) chains along [100] by N-H⋯O hydrogen bonds. The mol-ecules are also weakly linked by C-H⋯O and C-H⋯N inter-actions, forming dimers with edge-connected R(2) (2)(9) rings. The dimers are inter-linked by further weak C-H⋯N hydrogen bonds ...[more]

PMID: 22590262

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