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3-Isopropyl-1-{2-[(1-methyl-1H-tetra-zol-5-yl)sulfan-yl]acet-yl}-2,6-di-phenyl-piperidin-4-one hemihydrate.

ABSTRACT: In the title compound, C24H27N5O2S·0.5H2O, the piperidine ring adopts a distorted boat conformation. The phenyl rings subtend dihedral angles of 69.7?(1) and 88.7?(1)° with the best plane through the piperidine moiety. In the crystal, symmetry-related mol-ecules are linked through a network of C-H?O and C-H?N inter-actions, the former connecting them into zigzag chains along the c-axis direction and the latter forming an R (2) 2(4)motif. The dimer formation (C-H?N) and the repetition of symmetry-related molecules (C-H?O) along the b-axis direction stabilize the packing mode. The water mol-ecule is located on a twofold rotation axis.

SUBMITTER: Ganesan S 

PROVIDER: S-EPMC3884276 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

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3-Isopropyl-1-{2-[(1-methyl-1H-tetra-zol-5-yl)sulfan-yl]acet-yl}-2,6-di-phenyl-piperidin-4-one hemihydrate.

Ganesan S S   Sugumar P P   Ananthan S S   Ponnuswamy M N MN  

Acta crystallographica. Section E, Structure reports online 20131002 Pt 11

In the title compound, C24H27N5O2S·0.5H2O, the piperidine ring adopts a distorted boat conformation. The phenyl rings subtend dihedral angles of 69.7 (1) and 88.7 (1)° with the best plane through the piperidine moiety. In the crystal, symmetry-related mol-ecules are linked through a network of C-H⋯O and C-H⋯N inter-actions, the former connecting them into zigzag chains along the c-axis direction and the latter forming an R (2) 2(4)motif. The dimer formation (C-H⋯N) and the repetition of symmetry  ...[more]

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