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9-(噻吩-2-基)-8,9-二氢-3H-吡唑并[4,3-f]喹啉-7(6H)-酮乙醇单溶剂合物

9-(Thio-phen-2-yl)-8,9-dihydro-3H-pyrazolo-[4,3-f]quinolin-7(6H)-one ethanol monosolvate.

作者信息

Peng Juhua, Jia Runhong

机构信息

Lianyungang Teacher's College, Lianyungang 222006, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2608. doi: 10.1107/S1600536812033533. Epub 2012 Aug 1.

Abstract

In the title compound, C(14)H(11)N(3)OS·C(2)H(5)OH, the dihedral angle between the pyridine N-C(fused)-C(fused)-C(thio-phene) plane and the plane of the thio-phene ring is 81.9 (3)°, indicating that they are close to perpendicular. The dihedral angle between this pyridine plane and the benzene ring is 1.3 (3)°. The thio-phene ring is disordered over two coplanar orientations with an occupancy ratio of 0.692 (7):0.308 (7), while the ethanol solvent mol-ecule is also disordered over two sets of site in a 0.66 (4):0.34 (4) ratio. In the crystal, chains are formed along the b axis by N-H⋯O and O-H⋯N inter-actions with adjacent chains being connected through C-H⋯N and C-H⋯S inter-actions.

摘要

在标题化合物C(14)H(11)N(3)OS·C(2)H(5)OH中,吡啶N-C(稠合)-C(稠合)-C(噻吩)平面与噻吩环平面之间的二面角为81.9 (3)°,表明它们近乎垂直。该吡啶平面与苯环之间的二面角为1.3 (3)°。噻吩环在两个共面取向上无序,占有率比为0.692 (7):0.308 (7),而乙醇溶剂分子也在两组位置上无序,比例为0.66 (4):0.34 (4)。在晶体中,通过N-H⋯O和O-H⋯N相互作用沿b轴形成链,相邻链通过C-H⋯N和C-H⋯S相互作用连接。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed3d/3435639/c43bed32efca/e-68-o2608-fig1.jpg

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