The crystal structures of two isomers of 2-(thienyl)glyoxime, 2-thienylethanedial dioxime, C6H6N202S, E,E [orthorhombic, Pbca, a= 11.074 (5), b= 9.152 (3), c = 14.660 (4)/k, V = 1185.84/k 3, Dx = 1.522 g cm -3, Z = 8, R = 0.058 for 1276 reflections with I> 3o-(1)] and E,Z [monoclinic, P2/c, a = 12.189 (3), b = 3.865 (3), c= 16.022 (5) A, /3 = 90.79 (2) '~, V = 754.8/k 3, Dx = 1.498 g cm-3, Z = 4, R = 0.032 for 1154 reflections with I> 30-(1)] 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.
The crystal structure of two isomers of 2-(thienyl)glyoxime
ExperimentalThe E,E-and E,Z-isomers of 2-(thienyl)glyoxime were prepared by recrystallization from dichloromethane and methanol, respectively. Crystal data for the two isomers of 2-(thienyl)glyoxime and details of the data collection and refinement procedures are summarized in Table 1. The lattice parameters were obtained from angular settings of 25 well-centred,