title: Structural rationalisation of co-crystals formed between trithiocyanuric acid and molecules containing hydrogen bonding functionality.
abstract: Crystallisation of trithiocyanuric acid (TTCA) from various organic solvents that have hydrogen bonding capability (acetone, 2-butanone, dimethylformamide, dimethyl sulfoxide, methanol and acetonitrile) leads to the formation of co-crystals in which the solvent molecules are incorporated together with TTCA in the crystal structure. Structure determination by single-crystal X-ray diffraction reveals that these co-crystals can be classified into different groups depending upon the topological arrangement of the TTCA molecules in the crystal structure. Thus, three different types of single-tape arrangements of TTCA molecules and one type of double-tape arrangement of TTCA molecules are identified. In all co-crystals, hydrogen-bonding interactions are formed through the involvement of N-H bonds of TTCA molecules in these tapes and the other molecule in the co-crystal. Detailed rationalisation of the structural properties of these co-crystals is presented.
authors.affiliation: School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT, UK.
authors.forename: Shinbyoung
authors.initials: S
authors.lastname: Ahn
authors.forename: J
authors.initials: J
authors.lastname: PrakashaReddy
authors.forename: Benson M
authors.initials: BM
authors.lastname: Kariuki
authors.forename: Swati
authors.initials: S
authors.lastname: Chatterjee
authors.forename: Anupama
authors.initials: A
authors.lastname: Ranganathan
authors.forename: V R
authors.initials: VR
authors.lastname: Pedireddi
authors.forename: C N R
authors.initials: CN
authors.lastname: Rao
authors.forename: Kenneth D M
authors.initials: KD
authors.lastname: Harris