Crystal structure of tri­aqua­(2,6-di­methyl­pyrazine-κN4)bis­(thio­cyanato-κN)manganese(II) 2,5-di­methyl­pyrazine disolvate

Acta Crystallographica Section E: Crystallographic Communications

Jess, I.¹  Suckert, S.¹  Wö²  Nä²  hlert, S.³  ther, C.³ 

[1] Institut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Max-Eyth-Strasse 2, 24118 Kiel, Germany

关键词: CRYSTAL STRUCTURE;    COORDINATION COMPLEX;    MANGANESE(II);    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015020769

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the crystal structure of the title complex, [Mn(NCS)2(C6H8N2)(H2O)3]·2C6H8N2, the MnII cation is coordinated by two terminally N-bonded thio­cyanate anions, three water mol­ecules and one 2,6-di­methyl­pyrazine ligand within a slightly distorted N3O3 octa­hedral geometry; the entire complex mol­ecule is generated by the application of a twofold rotation axis. The asymmetric unit also contains an uncoordinating 2,5-di­methyl­pyrazine ligand in a general position. Obviously, the coordination to the 2,6-di­methyl­pyrazine ligand is preferred because coordination to the 2,5-di­methyl­pyrazine is hindered due to the bulky methyl group proximate to the N atom. The discrete complexes are linked by water-O—H⋯N(2,6-di­methyl­pyzazine/2,5-di­methyl­pyza­zine) hydrogen bonding, forming a three-dimensional network. In the crystal, mol­ecules are arranged in a way that cavities are formed in which unspecified, disordered solvent molecules reside. These were modelled employing the SQUEEZE routine in PLATON [Spek (2015). Acta Cryst. C71, 9–18]. The composition of the unit cell does not take into account the presence of the unspecified solvent.

【 授权许可】

CC BY