MetadataShow full item record
The title compound, C12H13N5O2S, exists in the 3-phenyl-5-thioureido-1H-1,2,4-triazole tautomeric form stabilized by intramolecular hydrogen bonding between the endocyclic NH H atom and the thioureido S atom. The molecular structure is also stabilized by intramolecular N-H...O=C hydrogen bonds arranged in an S(6) graph-set motif within the carbethoxythiourea moiety. The mean planes of the phenyl and 1,2,4-triazole rings make a dihedral angle of 7.61 (11)deg. In the crystal, the molecules form two types of inversion dimers. Intermolecular hydrogen bonds are arranged in R22(6) and R22(8) graph-set motifs, together forming a network parallel to (111).
This open-access article is distributed under the terms of the Creative Commons Attribution Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Showing items related by title, author, creator and subject.
Dolzhenko, Anton; Tan, G.; Koh, L.; Dolzhenko, A.; Chui, W. (2009)In the title compound, C8H8N4-C8H8N4, two tautomers, viz. 3-phenyl-1,2,4-triazol-5-amine and 5-phenyl-1,2,4-triazol-3-amine, are crystallized together in equal amounts. The 3-phenyl-1,2,4-triazol-5-amine molecule is ...
Photophysical and Photochemical Studies of Tricarbonyl Rhenium(I) N-Heterocyclic Carbene Complexes Containing Azide and Triazolate LigandsSimpson, Peter V.; Skelton, B.; Raiteri, Paolo; Massi, Massimiliano (2016)Rhenium(I) N-heterocyclic carbene (NHC) complexes of the type fac-[Re(CO)3(NHC)L] with either azide or triazolate ancillary ligands L and pyridyl or pyrimidyl substituted imidazolyl units have been prepared and structurally ...
Dolzhenko, Anton; Pastorin, G.; Dolzhenko, A.; Chui, W. (2009)A catalyst-free highly efficient synthesis of 3(5)-amino-5(3)-(het)aryl-1,2,4-triazoles in aqueous mediumwas performed using conventional heating and microwave irradiation. The tautomerism in the productswas investigated ...