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1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1,4-dihydro-pyridin-3-yl]ethanone monohydrate.

ABSTRACT: In the title compound, C(20)H(21)N(3)O(2)·H(2)O, the aza-substitued six-membered ring adopts a (L4)B conformation. In the crystal, classical N-H?O, N-H?N and O-H?O hydrogen bonds connect the entities into a three-dimensional network. Intra-molecular C-H?O contacts are also observed.

SUBMITTER: Islor AM

PROVIDER: S-EPMC3515252 | biostudies-other | 2012 Nov

REPOSITORIES: biostudies-other

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1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1,4-dihydro-pyridin-3-yl]ethanone monohydrate.

Islor Arun M AM Malladi Shridhar S Sundershan S S Gerber Thomas T Hosten Eric E Betz Richard R

Acta crystallographica. Section E, Structure reports online 20121020 Pt 11

In the title compound, C(20)H(21)N(3)O(2)·H(2)O, the aza-substitued six-membered ring adopts a (L4)B conformation. In the crystal, classical N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds connect the entities into a three-dimensional network. Intra-molecular C-H⋯O contacts are also observed. ...[more]

PMID: 23284472

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