Received 17 June 2011
aCollege of Chemical Engineering, Taishan Medical College, Taian 271016, People's Republic of China, and bCollege of Chemistry, Chemical Engineering and Materials Science, The Key Laboratory of Organic Synthesis of Jiangsu Province, Soochow University, Suzhou 215123, People's Republic of China
Correspondence e-mail: firstname.lastname@example.org
In the crystal structure of the title 1:2 adduct, [Zn2(NCS)4(C4H8N4)2]·2[Zn(NCS)2(C4H8N4)2] or (Ia)·2(Ib), each ZnII atom is coordinated in a distorted tetrahedral geometry by four N atoms from two triazole rings of two 4-amino-3,5-dimethyl-1,2,4-triazole (admt) ligands and two NCS- ligands. In (Ia), double N1:N2-bridging admt ligands connect two ZnII atoms, forming a dimer with a Zn2(admt)2 six-membered metallacycle located on a crystallographic inversion center. In (Ib), the admt ligands exhibit monodentate N1-coordination modes. Weak N-HN, N-HS and C-HS hydrogen bonds play an important role in the intermolecular packing. The S and C atoms of two thiocyanato ligands are disordered over two sets of sites in ratios of 0.57 (3):0.43 (3) and 0.63 (3):0.37 (3), respectively.
For background to transition metal complexes of 1,2,4-triazole derivatives, see: Haasnoot (2000); Liu et al. (1999, 2003); Zhao et al. (2002); Yi et al. (2004); Lavrenova et al. (1992); Zhang et al. (2007, 2011). For related structures, see: Lavrenova et al. (1992); Zhang et al. (2007, 2011).
Data collection: CrystalClear (Rigaku, 2000); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZQ2110 ).
This work was supported by the Funds of the Key Laboratory of Organic Synthesis Chemistry of Jiangsu Province and the Youth Foundation of Taishan Medical College, People's Republic of China.
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