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• W2206366595 abstract "Abstract Two single crystals of 1-(diaminomethylene) thiouron-1-ium benzoate ( 1 ) and bis(1-(diaminomethylene)thiouron-1-ium) phthalate trihydrate ( 2 ) were grown using a solution growth technique. The compound 1 crystallises in the centrosymmetric P 2 1 /c space group of the monoclinic system, whereas the compound 2 in the centrosymmetric Pbcn space group of orthorhombic system. The solid-state organisation of 1 and 2 has been analysed with respect to cation-anion and hydrogen bonding interactions. The oppositely charged units interact via almost linear hydrogen bonds with the graphs of R 2 2 (8) and R 2 1 (6) forming molecular complexes. In the crystal 1 the R 2 2 (8) motif is formed by donation to the carboxylate group from amine group joined to C1 and from imine group and R 2 1 (6) motif is formed by donation to the O2 from amine group joined to C2 and from imine group, whereas in crystal 2 the graphs are formed oppositely. Interactions between the hydrogen-bonded molecular complexes in 1 lead to formation of layered 2D structure, whereas in 2 , due to presence of hydrated water molecules lead to formation of 3D hydrogen-bonded supramolecular network. The obtained deuterated analogues of 1 and 2 crystallise similar as H-compound in the monoclinic and orthorhombic system with quite similar lattice parameters. The compounds were also characterised by the FT-IR and Raman spectroscopies. The characteristic bands of the functional and skeletal groups are discussed." @default.
• W2206366595 created "2016-06-24" @default.
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• W2206366595 date "2016-02-01" @default.
• W2206366595 modified "2023-10-16" @default.
• W2206366595 title "Structural and spectroscopic characterization of 1-(diaminomethylene) thiouron-1-ium benzoate and bis(1-(diaminomethylene)thiouron-1-ium) phthalate trihydrate" @default.
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• W2206366595 doi "https://doi.org/10.1016/j.molstruc.2015.10.080" @default.
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