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dc.contributor.authorDolzhenko, Anton
dc.contributor.authorTan, G.
dc.contributor.authorKoh, L.
dc.contributor.authorDolzhenko, A.
dc.contributor.authorChui, W.
dc.date.accessioned2017-01-30T11:05:57Z
dc.date.available2017-01-30T11:05:57Z
dc.date.created2010-12-02T20:03:27Z
dc.date.issued2010
dc.identifier.citationDolzhenko, Anton V. and Tan, Geok Kheng and Koh, Lip Lin and Dolzhenko, Anna V. and Chui, Wai Keung. 2010. N-Carbethoxy-N'-(3-phenyl-1H-1,2,4-triazol-5-yl)thiourea. Acta Crystallographica Section E - Structure Reports Online. 66 (2): p. o425.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/8327
dc.identifier.doi10.1107/S1600536810002369
dc.description.abstract

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).

dc.publisherBlackwell Munksgaard
dc.subjectX-ray crystallography
dc.subjectthioureas
dc.subjecttriazoles
dc.subjecttautomerism
dc.titleN-Carbethoxy-N'-(3-phenyl-1H-1,2,4-triazol-5-yl)thiourea
dc.typeJournal Article
dcterms.source.volume66
dcterms.source.number2
dcterms.source.startPageo425
dcterms.source.endPageo425
dcterms.source.issn16005368
dcterms.source.titleActa Crystallographica Section E - Structure Reports Online
curtin.note

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.

curtin.accessStatusOpen access
curtin.facultyFaculty of Health Sciences
curtin.facultySchool of Pharmacy


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