Röntgenographische Strukturuntersuchungen hexagonaler Einschlussverbindungen des Thioharnstoffs

Abstract

The ground structure of thiourea in adduct compounds of thiourea belongs to the space group R'32/c with a ~ 15.8, c ~ 12.5 ttx. The thiourea molecules have the same shape as in the orthorhombic thiourea and their parameters are xs ----0.2995; xc = 0.414; xN = 0.444, yN = --0.014, zN = 0.086.Cyclohexane as an adduct is situated near the sulphur atoms within the canal or tube formed by the thiourea molecules.Most parts of the diffraction pattern can be assigned either to the ground substance or to the enclosed component. From the latter the canal length occupied by an enclosed molecule can be obtained. From a discussion of the entire pattern of dicyclohexylparaffin adducts it follows that within the canal the paraffin chain is lengthened or shortened compared with its normal length; this brings the cyclohexyl end rings to certain regions of the thiourea canal which can be determined from the diffraction effects.

The crystal structure of selenourea

“…A completely analogous phenomenon was also found for thiourea; in this case the structure determination is due to LENN^ (1954). The basic structure has a similar honeycomb form, but the symmetry is reduced, the space group now being the rhombohedral R3c.…”

Structure and Dynamics of Chlorocyclohexane/Thiourea Inclusion Compound C6H11Cl/SC(NH2)2Studied by X-ray Diffraction and1H-NMR

“…[1][2][3][4] In host subunit, thiourea molecules are mutually linked by hydrogen bonds so as to build channels arrayed like a honeycomb. [5][6][7][8] Guest molecules are embedded one-dimensionally inside the channels with diameter varying from 5.5 to 7.1 # A depending upon their sizes and shapes. 9) For the guest molecules with nearly spherical shape, thiourea inclusion compound is rhombohedral at room temperature and, in most case, transforms to a monoclinic phase at lowtemperature.…”

Study of Complex Formation of Carbamazepine with Thiourea

“…Various methods such as solvent evaporation, 1) grinding, 2,3) and slurrying 4) are used to prepare cocrystals, and changes in solubility 5,6) and improvement in physical stability 7) and bioavailability 8) as a result of the formation of cocrystals have been studied. Thiourea (TU) forms inclusion complexes with guest molecules in a tunnel structure, 9) and TU is used to isolate and purify substances. Like TU, urea forms inclusion complexes with a tunnel structure, 9) and a study has reported improving its solubility of guest molecules and improving its stability to light.…”

“…Thiourea (TU) forms inclusion complexes with guest molecules in a tunnel structure, 9) and TU is used to isolate and purify substances. Like TU, urea forms inclusion complexes with a tunnel structure, 9) and a study has reported improving its solubility of guest molecules and improving its stability to light. 10) One difference between TU and urea is that TU inclusion complexes have a tunnel structure with a larger inner diameter than that of urea inclusion complexes.…”