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A monoclinic polymorph of N-eth­oxy­carbonyl-N′-(3-phenyl-1H-1,2,4-triazol-5-yl)thio­urea

The title compound, C(12)H(13)N(5)O(2)S {systematic name: ethyl N-[N-(3-phenyl-1H-1,2,4-triazol-5-yl)carbamothio­yl]carbamate}, is a monoclinic polymorph (space group P2(1)/c) which crystallizes with three similar independent mol­ecules in the asymmetric unit. The triazole ring makes dihedral angles...

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Detalles Bibliográficos
Autores principales: Dolzhenko, Anton V., Tan, Geok Kheng, Dolzhenko, Anna V., Koh, Lip Lin, Chui, Wai Keung
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007582/
https://www.ncbi.nlm.nih.gov/pubmed/21588305
http://dx.doi.org/10.1107/S1600536810026164
Descripción
Sumario:The title compound, C(12)H(13)N(5)O(2)S {systematic name: ethyl N-[N-(3-phenyl-1H-1,2,4-triazol-5-yl)carbamothio­yl]carbamate}, is a monoclinic polymorph (space group P2(1)/c) which crystallizes with three similar independent mol­ecules in the asymmetric unit. The triazole ring makes dihedral angles of 6.6 (2), 8.4 (2) and 10.6 (2)° with the phenyl ring in the three independent molecules. The structure was previously reported [Dolzhenko et al. (2010a ▶). Acta Cryst., E46, o425] as a triclinic polymorph crystallizing in space group P [Image: see text]. Mol­ecules in both polymorphs possess two S(6) rings generated by intra­molecular N—H⋯S and N—H⋯O hydrogen bonds, resulting in similar mol­ecular geometries. However, the two polymorphs differ in the crystal packing. In contrast to the dimers of the triclinic polymorph, mol­ecules of the monoclinic polymorph are connected by inter­molecular N—H⋯S and N—H⋯N hydrogen bonds, forming pseudosymmetric trimers arranged in sheets parallel to (302).