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5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-aza-spiro-[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide.

ABSTRACT: In the title compound, C24H24FN3O2S, the 1,3-thia-zolidine ring adopts an envelope conformation with the S atom as the flap, while the cyclo-hexane ring is in a chair conformation. In the crystal, mol-ecules are linked by N-H?O and C-H?F hydrogen bonds, forming a three-dimensional network. The unit cell contains six voids of 57?Å(3), but the residual electron density (highest peak = 0.23?e?Å(-3) and deepest hole = -0.19?e?Å(-3)) in the difference Fourier map suggests no solvent mol-ecule occupies this void.

SUBMITTER: Celikesir ST

PROVIDER: S-EPMC3793733 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-aza-spiro-[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide.

Celikesir Sevim Türktekin ST Akkurt Mehmet M Ustündağ Gökçe Cihan GC Büyükgüngör Orhan O

Acta crystallographica. Section E, Structure reports online 20130710 Pt 8

In the title compound, C24H24FN3O2S, the 1,3-thia-zolidine ring adopts an envelope conformation with the S atom as the flap, while the cyclo-hexane ring is in a chair conformation. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯F hydrogen bonds, forming a three-dimensional network. The unit cell contains six voids of 57 Å(3), but the residual electron density (highest peak = 0.23 e Å(-3) and deepest hole = -0.19 e Å(-3)) in the difference Fourier map suggests no solvent mol-ecule occupie ...[more]

PMID: 24109320

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