Received 5 March 2011
aCICECO, Departamento de Química, Faculdade de Ciências, Universidade do Aveiro, 3810-193 Aveiro, Portugal,bREQUIMTE, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade do Porto, Rua do Campo Alegre, 687, P-4169_007 Porto, Portugal,cCentro de Investigação em Química, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade do Porto, Rua do Campo Alegre 687, P-4169_007 Porto, Portugal, and dDepartment of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen AB24 3UE, Scotland
Correspondence e-mail: firstname.lastname@example.org
The asymmetric unit of the title compound, C18H21N3S, contains five molecules. The equivalent bond distances in the five molecules are in excellent agreement, the r.m.s. fit being within 0.007 Å. The five molecules are linked into a chain consisting of alternating pseudo-enantiomers by N-HS hydrogen bonds supplemented by weak C-H interactions. The action of a glide plane links the asymmetric unit into an extended chain. A polymorph of the title compound with one molecule in the asymmetric unit was reported by Braun et al. [Cryst. Res. Technol. (1988), 23, 35-39].
For the structure of the first polymorph, see: Braun et al. (1988). For graph-set analysis, see: Bernstein et al. (1995). For a description of the Cambridge Structural Database, see: Allen (2002). Preparative details can be found in Beyer et al. (1984).
Data collection: APEX2 and SMART (Bruker, 2004); cell refinement: APEX2 and SAINT (Bruker, 2004); data reduction: SAINT (Bruker, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008) and OSCAIL (McArdle et al., 2004); molecular graphics: PLATON (Spek, 2009); software used to prepare material for publication: SHELXL97.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: OM2413 ).
BS acknowledges the FCT and the European Social Fund (ESF) under the third Community Support Framework (CSF) for the award of a post-doctoral research grant (SFRH/BPD/38637/2007).
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Beyer, L., Hartung, J. & Widera, R. (1984). Tetrahedron, 40, 405-412.
Braun, U., Sieler, J., Richter, R., Leba, I. & Golic, L. (1988). Cryst. Res. Technol. 23, 35-39.
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McArdle, P., Gilligan, K., Cunningham, D., Dark, R. & Mahon, M. (2004). CrystEngComm, 6, 303-309.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.