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Title: A monoclinic polymorph of N-ethoxycarbonyl-N′-(3-phenyl-1H-1,2,4- triazol-5-yl)thiourea
Authors: Dolzhenko, A.V. 
Tan, G.K.
Dolzhenko, A.V.
Koh, L.L. 
Chui, W.K. 
Issue Date: Aug-2010
Citation: Dolzhenko, A.V., Tan, G.K., Dolzhenko, A.V., Koh, L.L., Chui, W.K. (2010-08). A monoclinic polymorph of N-ethoxycarbonyl-N′-(3-phenyl-1H-1,2,4- triazol-5-yl)thiourea. Acta Crystallographica Section E: Structure Reports Online 66 (8) : o1990-o1991. ScholarBank@NUS Repository.
Abstract: The title compound, C12H13N5O2S {systematic name: ethyl N-[N-(3-phenyl-1H-1,2,4-triazol-5-yl)carbamothio-yl] carbamate}, is a monoclinic polymorph (space group P21/c) which crystallizes with three similar independent mol-ecules 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 . Mol-ecules in both polymorphs possess two S(6) rings generated by intra-molecular N - H⋯S and N - H⋯O hydrogen bonds, resulting in similar mol-ecular geometries. However, the two polymorphs differ in the crystal packing. In contrast to the dimers of the triclinic polymorph, mol-ecules of the monoclinic polymorph are connected by inter-molecular N - H⋯S and N - H⋯N hydrogen bonds, forming pseudosymmetric trimers arranged in sheets parallel to (302).
Source Title: Acta Crystallographica Section E: Structure Reports Online
ISSN: 16005368
DOI: 10.1107/S1600536810026164
Appears in Collections:Staff Publications

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