Please use this identifier to cite or link to this item:
https://doi.org/10.1107/S1600536810026164
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. https://doi.org/10.1107/S1600536810026164 | 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 | URI: | http://scholarbank.nus.edu.sg/handle/10635/92955 | ISSN: | 16005368 | DOI: | 10.1107/S1600536810026164 |
Appears in Collections: | Staff Publications |
Show full item record
Files in This Item:
There are no files associated with this item.
SCOPUSTM
Citations
3
checked on Jun 29, 2022
WEB OF SCIENCETM
Citations
3
checked on Jun 29, 2022
Page view(s)
257
checked on Jun 23, 2022
Google ScholarTM
Check
Altmetric
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.