Crystal structure determination of 2-oxo-3-benzoyloxazolo[3,Z-a]pyridine from X-ray powder data

被引：11
|
作者：
Zhukov, SG [1 ]
Babaev, EV
Chernyshev, VV
Rybakov, VB
Sonneveld, EJ
Schenk, H
机构：
[1] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119899, Russia
[2] Univ Amsterdam, Crystallog Lab, NL-1018 WV Amsterdam, Netherlands
来源：
ZEITSCHRIFT FUR KRISTALLOGRAPHIE | 2000年 / 215卷 / 05期
关键词：
D O I：
10.1524/zkri.2000.215.5.306
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The crystal structure of the mesoionic compound 2-oxo-3-benzoyloxazolo[3,2-a]pyridine (C14H9NO3) has been determined from X-ray powder data using the grid search procedure. The crystal symmetry is orthorhombic (space group Pna2(1), a = 7.940(1) Angstrom, b = 24.562(3) Angstrom, c = 5.402(1) Angstrom). The results of Rietveld refinement (R-wp = 11.9%; R-exp = 3.7%) with gradually relaxed bond restrains show that the delocalization of positive charge does not involve the entire pyridine fragment and occurs along the triad N-C-O, whereas the negative charge is localized on the carbon atom.
引用
收藏
页码：306 / 308
页数：3
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