The Crystal and Molecular Structure of Salicylaldehyde-4-morpholinothiosemicarbazone

[摘要] Crystals of salicylaldehyde-4-morpholinothiosemicarbazone, C12H15O2N3S, are orthorhombic with space group Pna21. Unit-cell dimensions are a = 11.85(5), b = 15.45(5) c = 7.18(3)¡Ê with z = 4. Three-dimensional intensity data were collected from the multiple-film equi-inclination Weissenberg photographs taken with CuK¥á radiation. The intensities were estimated visually. The structure was solved by Patterson and Fourier methods and refined by the block-diagonal least-squares methods until the final R value becomes 0.11 for the 1064 observed independent reflections. The morpholine ring has a chair form. The rest atoms of salicylaldehyde-4-morpholinothiosemicarbazone molecule excluding morpholine ring and sulfur atom approximately lie on a plane. The hydroxyl group of the salicylaldehyde and the nitrogen atom of the thiosemicarbazone form an intramolecular hydrogen bond, O-H¡¦N, of 2.67¡Ê. The short intermolecular distances all appear to be normal van der Waals contacts.

[学科分类] 化学（综合）