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3-Phenyl-2-(pyrrolidin-1-yl)-5,6-dihydro-8H-thiopyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one
In the title compound, C(19)H(19)N(3)OS(2), the thiopyran ring adopts a twist-chair conformation and the pyrimidinone unit is essentially planar, with a mean deviation of 0.0497 Å. The thiophene ring is essentially planar with a maximum deviation of 0.024 (2) Å, while the pyrrolidine ring exhibits...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007963/ https://www.ncbi.nlm.nih.gov/pubmed/21588734 http://dx.doi.org/10.1107/S1600536810032794 |
Sumario: | In the title compound, C(19)H(19)N(3)OS(2), the thiopyran ring adopts a twist-chair conformation and the pyrimidinone unit is essentially planar, with a mean deviation of 0.0497 Å. The thiophene ring is essentially planar with a maximum deviation of 0.024 (2) Å, while the pyrrolidine ring exhibits an envelope conformation. The pyrimidinone and thiophene rings are almost coplanar, forming a dihedral angle of 6.31 (15)°, while the dihedral angle between the mean planes of the phenyl ring and the pyrimidinone ring is 68.13 (10)°. In the crystal structure, adjacent molecules are linked by C—H⋯O hydrogen bonds, forming a two-dimensional network in the ac plane. |
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