[6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexahydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phenyl)methanone
The asymmetric unit of the title compound, C19H19N3O4, contains two molecules with very few conformational differences; a C atom in the pyrimidine ring in one of the molecules is disordered in a 0.688 (15):0.312 (15) ratio. In both molecules, the fused pyridine and pyrimidine rin...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2013-06-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053681301386X |
| _version_ | 1818261837386350592 |
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| author | Wen-Feng Zhang Jian-Hui Xia Zhao-Hui Xu Li-Ben Wang Chu-Yi Yu |
| author_facet | Wen-Feng Zhang Jian-Hui Xia Zhao-Hui Xu Li-Ben Wang Chu-Yi Yu |
| author_sort | Wen-Feng Zhang |
| collection | DOAJ |
| description | The asymmetric unit of the title compound, C19H19N3O4, contains two molecules with very few conformational differences; a C atom in the pyrimidine ring in one of the molecules is disordered in a 0.688 (15):0.312 (15) ratio. In both molecules, the fused pyridine and pyrimidine rings adopt half-chair conformations. The dihedral angles between the furan and benzene rings are 81.00 (13) and 84.99 (10)° in the two molecules. The molecular structure is consolidated by intramolecular N—H...O hydrogen bonding. In the crystal, C—H...O hydrogen bonds connect the molecules into a three-dimensional network. |
| first_indexed | 2024-12-12T18:53:34Z |
| format | Article |
| id | doaj.art-a38f5a10a94c43ff916d4263ad56708e |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-12T18:53:34Z |
| publishDate | 2013-06-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-a38f5a10a94c43ff916d4263ad56708e2022-12-22T00:15:18ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-06-01696o986o98610.1107/S160053681301386X[6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexahydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phenyl)methanoneWen-Feng ZhangJian-Hui XiaZhao-Hui XuLi-Ben WangChu-Yi YuThe asymmetric unit of the title compound, C19H19N3O4, contains two molecules with very few conformational differences; a C atom in the pyrimidine ring in one of the molecules is disordered in a 0.688 (15):0.312 (15) ratio. In both molecules, the fused pyridine and pyrimidine rings adopt half-chair conformations. The dihedral angles between the furan and benzene rings are 81.00 (13) and 84.99 (10)° in the two molecules. The molecular structure is consolidated by intramolecular N—H...O hydrogen bonding. In the crystal, C—H...O hydrogen bonds connect the molecules into a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?S160053681301386X |
| spellingShingle | Wen-Feng Zhang Jian-Hui Xia Zhao-Hui Xu Li-Ben Wang Chu-Yi Yu [6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexahydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phenyl)methanone Acta Crystallographica Section E |
| title | [6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexahydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phenyl)methanone |
| title_full | [6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexahydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phenyl)methanone |
| title_fullStr | [6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexahydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phenyl)methanone |
| title_full_unstemmed | [6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexahydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phenyl)methanone |
| title_short | [6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexahydro-1H-pyrido[1,2-a]pyrimidin-9-yl](phenyl)methanone |
| title_sort | 6 furan 2 yl 7 nitro 2 3 4 6 7 8 hexahydro 1h pyrido 1 2 a pyrimidin 9 yl phenyl methanone |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053681301386X |
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