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3-Butyl-2-propyl-amino-1-benzo-thieno[3,2-d]pyrimidin-4(3H)-one.

ABSTRACT: In the title compound, C(17)H(21)N(3)OS, the propyl and butyl groups are disordered over two positions; site occupation factors are 0.304?(10) and 0.696?(10). The three fused rings are coplanar. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link the mol-ecules. Further stability is provided by offset ?-? stacking inter-actions. Adjacent thienophene-pyrimidine and pyrimidine-benzene rings have centroid-centroid distances of 3.96?(1) and 3.55?(2)?Å, respectively.

SUBMITTER: Xu S

PROVIDER: S-EPMC2915000 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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3-Butyl-2-propyl-amino-1-benzo-thieno[3,2-d]pyrimidin-4(3H)-one.

Xu Shengzhen S

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the title compound, C(17)H(21)N(3)OS, the propyl and butyl groups are disordered over two positions; site occupation factors are 0.304 (10) and 0.696 (10). The three fused rings are coplanar. In the crystal structure, inter-molecular N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules. Further stability is provided by offset π-π stacking inter-actions. Adjacent thienophene-pyrimidine and pyrimidine-benzene rings have centroid-centroid distances of 3.96 (1) and 3.55 (2) Å, respectively. ...[more]

PMID: 21200917

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