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Crystal structure of 3-hydroxymethyl-1,2,3,4-tetrahydroisoquinolin-1-one
In the title compound, C(10)H(11)NO(2), two independent but virtually superimposable molecules, A and B, comprise the asymmetric unit. The heterocyclic ring in each molecule has a screw-boat conformation, and the methylhydroxyl group occupies a position to one side of this ring with N—C—C—O torsi...
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/PMC4571395/ https://www.ncbi.nlm.nih.gov/pubmed/26396795 http://dx.doi.org/10.1107/S2056989015012670 |
Sumario: | In the title compound, C(10)H(11)NO(2), two independent but virtually superimposable molecules, A and B, comprise the asymmetric unit. The heterocyclic ring in each molecule has a screw-boat conformation, and the methylhydroxyl group occupies a position to one side of this ring with N—C—C—O torsion angles of −55.30 (15) (molecule A) and −55.94 (16)° (molecule B). In the crystal, O—H⋯O and N—H⋯O hydrogen bonding leads to 11-membered {⋯HNCO⋯HO⋯HNC(2)O} heterosynthons, involving three different molecules, which are edge-shared to generate a supramolecular chain along the a axis. Interactions of the type C—H⋯O provide additional stability to the chains, and link these into a three-dimensional architecture. |
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