3-[1-(ETHYLAMINO)ETHYLIDENE]-6-METHYL-3H-PYRAN-2,4-DIONE

被引：5
|
作者：
XIAO, GY [1 ]
VANDERHELM, D [1 ]
HIDER, RC [1 ]
DOBBIN, PS [1 ]
机构：
[1] UNIV LONDON KINGS COLL,LONDON WC2R 2LS,ENGLAND
来源：
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | 1993年 / 49卷
关键词：
D O I：
10.1107/S0108270192010928
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The structural results clearly indicate that 3-[1-(ethylamino)ethylidene]-6-methyl-3H-pyran-2,4-dione exists as a keto-enamine tautomer in the solid state. The H atom bonded to N(9) refines with a normal temperature factor and the bond distance of the keto group [C(4)-O(13)] of 1.263 (1) angstrom is elongated due to resonance. This resonance is also indicated by an averaging of the single bonds [C(2)-C(3), C(3)-C(4), C(4)-C(5) and C(8)-N(9)] and double bonds [C(3)-C(8) and C(4)-O(13)] in the crystal structure and by the fact that not only is the pyran ring planar [r.m.s. deviation 0.0212 (9) angstrom] but also there is planarity for the whole molecule [r.m.s. deviation 0.074 (1) angstrom]. A strong intramolecular hydrogen bond is found between the 4-oxo group and the amine H atom.
引用
收藏
页码：980 / 982
页数：3
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