X-RAY-INVESTIGATION OF GLYOXIME DERIVATIVES .5. 2 ISOMERS OF 2(THIENYL)GLYOXIME - A DATABASE STUDY OF THE GEOMETRY AND HYDROGEN-BONDING OF THE OXIME GROUP

被引:58
作者
CHERTANOVA, L [1 ]
PASCARD, C [1 ]
SHEREMETEV, A [1 ]
机构
[1] ND ZELINSKII INST ORGAN CHEM,MOSCOW 117913,RUSSIA
来源
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE | 1994年 / 50卷
关键词
D O I
10.1107/S0108768194004179
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The crystal structures of two isomers of 2-(thienyl)glyoxime, 2-thienylethanedial dioxime, C6H6N2O2S, E,E [orthorhombic, Pbca, a = 11.074(5), b = 9.152 (3), c = 14.660 (4) Angstrom, V = 1185.84 Angstrom(3), D-x = 1.522 g cm(-3), Z = 8, R = 0.058 for 1276 reflections with I > 3 sigma(I)] and E,Z [monoclinic, P2/c, a = 12.189 (3), b = 3.865 (3), c = 16.022 (5) Angstrom, beta = 90.79 (2)degrees, V = 754.8 Angstrom(3), D-x = 1.498 g cm(-3), Z = 4, R = 0.032 for 1154 reflections with I > 3 sigma(I)] have been determined. An analysis, based on the structures of the title compounds and on other glyoxime derivatives showed that the E,E-configuration is the preferred form. A statistical study on the geometry of the oxime group and on hydrogen bonding in the oximes was performed using the Cambridge Structural Database.
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页码:708 / 716
页数:9
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