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2-(4-Bromo-phen-oxy)-3-isopropyl-5,6,7,8-tetra-hydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one.

ABSTRACT: In the title compound, C(19)H(19)BrN(2)O(2)S, the central thieno-pyrim-idine ring system is essentially planar, with a maximum displacement of 0.068?(3)?Å. The attached cyclo-hexene ring adopts a half-chair conformation. The molecular conformation and crystal packing are stabilized by three intra-molecular C-H?O hydrogen bonds and two C-H?? inter-actions.

SUBMITTER: Wang HM

PROVIDER: S-EPMC2960130 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

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2-(4-Bromo-phen-oxy)-3-isopropyl-5,6,7,8-tetra-hydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one.

Wang Hong-Mei HM Chen Li-Li LL Hu Ting T Zeng Xiao-Hua XH

Acta crystallographica. Section E, Structure reports online 20081122 Pt 12

In the title compound, C(19)H(19)BrN(2)O(2)S, the central thieno-pyrim-idine ring system is essentially planar, with a maximum displacement of 0.068 (3) Å. The attached cyclo-hexene ring adopts a half-chair conformation. The molecular conformation and crystal packing are stabilized by three intra-molecular C-H⋯O hydrogen bonds and two C-H⋯π inter-actions. ...[more]

PMID: 21581373

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