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Crystal structure of N-[(2S,5R)-4-oxo-2,3-diphenyl-1,3-thiazinan-5-yl]acetamide 0.375-hydrate
The asymmetric unit of the title compound, C(18)H(18)N(2)O(2)S.0.375H(2)O, has two independent organic molecules (A and B) and 3/4 of a water molecule distributed over three sites. In molecule A, the 1,3-thiazine ring is in a boat conformation, with the C atoms at the 2- and 5-positions out of t...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331885/ https://www.ncbi.nlm.nih.gov/pubmed/25705452 http://dx.doi.org/10.1107/S2056989014026425 |
Sumario: | The asymmetric unit of the title compound, C(18)H(18)N(2)O(2)S.0.375H(2)O, has two independent organic molecules (A and B) and 3/4 of a water molecule distributed over three sites. In molecule A, the 1,3-thiazine ring is in a boat conformation, with the C atoms at the 2- and 5-positions out of the plane. The angle between the two phenyl rings is 51.70 (12)°. In molecule B, the thiazine ring is in a half-chair conformation, with the S atom forming the back of the half-chair. The angle between the two phenyl rings is 84.44 (14)°. The A molecule features an intramolecular N—H⋯O hydrogen bond, which closes an S(5) ring motif. In the crystal, the corresponding N—H grouping of the B molecule participates in an intermolecular hydrogen bond to the A molecule. The A molecule participates in a C—H⋯O interaction back to the B molecule, whilst the B molecule features an intramolecular C—H⋯O link, which generates an S(10) loop. |
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