Three-dimensional hydrogen-bonded assembly in 2,2′-disulfanylidene-5,5′-biimidazolidinylidene-4,4′-dione-dimethylformamide-water (3/2/4)

• Published in: Acta crystallographica. Section C, Crystal structure communications Vol. 69; no. 12; pp. 1545 - 1548
• Main Author: Wu, De-Hong
• Format: Journal Article
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.12.2013; Wiley Subscription Services, Inc
• Subjects: 5,5′‐biimidazolidinylidene; 5′-biimidazolidinylidene; crystal structure; Hydrogen bonds; Molecules; three-dimensional hydrogen-bonded assembly; Water; water tetramers; three-dimensional hydrogen-bonded assembly; crystal structure; 5,5′-biimidazolidinylidene; water tetramers
• ISSN: 0108-2701; 1600-5759
• DOI: 10.1107/S0108270113031521

The title compound, 3C6H4N4O2S2·2C3H7NO·4H2O, comprises three 2,2′‐disulfanylidene‐5,5′‐biimidazolidinylidene‐4,4′‐dione molecules, two dimethylformamide molecules and four water molecules arranged around a crystallographic inversion centre. The non‐H atoms within the 5,5′‐biimidazolidinylidene molecule are coplanar and these molecules aggregate through N—H...S hydrogen‐bonding interactions with cyclic motifs [graph set R22(8)], giving two‐dimensional ribbon structures which are close to being parallel. The two independent water molecules associate to form centrosymmetric cyclic hydrogen‐bonded (H2O)4 tetrameric units [graph set R44(8)]. The ribbon structures extend along the a axis and are linked through the water tetramers and the dimethylformamide molecules by a combination of two‐ and three‐centre hydrogen bonds, giving an overall three‐dimensional structure.