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4-(Pyrimidin-2-yl)-1-thia-4-aza-spiro-[4.5]decan-3-one.

ABSTRACT: The title compound, C(12)H(15)N(3)OS, features an envelope conformation for the 1,3-thia-zolidin-4-one ring with the S atom as the flap atom. The pyrimidine ring is almost orthogonal to the 1,3-thia-zolidin-4-one ring as indicated by the N-C-C-N torsion angle of -111.96?(18)°. Supra-molecular dimers are formed in the crystal structure through the agency of C-H?O contacts occurring between centrosymmetrically related mol-ecules. These are linked into supra-molecular tapes along [100] via C-H?S contacts.

SUBMITTER: Neuenfeldt PD

PROVIDER: S-EPMC2971766 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

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4-(Pyrimidin-2-yl)-1-thia-4-aza-spiro-[4.5]decan-3-one.

Neuenfeldt Patrícia D PD Drawanz Bruna B BB Cunico Wilson W Tiekink Edward R T ER Wardell James L JL Wardell Solange M S V SM

Acta crystallographica. Section E, Structure reports online 20091125 Pt 12

The title compound, C(12)H(15)N(3)OS, features an envelope conformation for the 1,3-thia-zolidin-4-one ring with the S atom as the flap atom. The pyrimidine ring is almost orthogonal to the 1,3-thia-zolidin-4-one ring as indicated by the N-C-C-N torsion angle of -111.96 (18)°. Supra-molecular dimers are formed in the crystal structure through the agency of C-H⋯O contacts occurring between centrosymmetrically related mol-ecules. These are linked into supra-molecular tapes along [100] via C-H⋯S co ...[more]

PMID: 21578902

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