3-Butyl-2-propylamino-1-benzothieno[3,2- d ]pyrimidin-4(3 H )-one
In the title compound, C17H21N3OS, 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, intermolecular N-H...O and C-H...O hydrogen bonds link the molecules. Further stabili...
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| Published in: | Acta crystallographica. Section E, Structure reports online Vol. 64; no. 1; p. o42 |
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| Format: | Journal Article |
| Language: | English |
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International Union of Crystallography
01-01-2008
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| Abstract | In the title compound, C17H21N3OS, 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, intermolecular N-H...O and C-H...O hydrogen bonds link the molecules. Further stability is provided by offset π-π stacking interactions. Adjacent thienophene-pyrimidine and pyrimidine-benzene rings have centroid-centroid distances of 3.96 (1) and 3.55 (2) Å, respectively. |
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| AbstractList | In the title compound, C17H21N3OS, 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, intermolecular N-H...O and C-H...O hydrogen bonds link the molecules. Further stability is provided by offset π-π stacking interactions. Adjacent thienophene-pyrimidine and pyrimidine-benzene rings have centroid-centroid distances of 3.96 (1) and 3.55 (2) Å, respectively. |
| Author | Xu, Shengzhen |
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| Cites_doi | 10.1039/p298700000s1 10.1016/S0223-5234(02)01442-3 10.1107/S0021889802022112 10.1021/jo048691v 10.1039/b003010o |
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| References | Ding (hk2396_bb4) 2004; 69 hk2396_bb5 hk2396_bb2 Allen (hk2396_bb1) 1987; 2 Chambhare (hk2396_bb3) 2003; 38 hk2396_bb6 Spek (hk2396_bb7) 2003; 36 |
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| Title | 3-Butyl-2-propylamino-1-benzothieno[3,2- d ]pyrimidin-4(3 H )-one |
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