Structural rationalisation of co-crystals formed between trithiocyanuric acid and molecules containing hydrogen bonding functionality

TitleStructural rationalisation of co-crystals formed between trithiocyanuric acid and molecules containing hydrogen bonding functionality
Publication TypeJournal Article
Year of Publication2005
AuthorsAhn, S-H, PrakashaReddy, J, Kariuki, BM, Chatterjee, S, Ranganathan, A, Pedireddi, VR, Rao, CNR, Harris, KDM
JournalChemistry - A European Journal
Volume11
Issue8
Pagination2433-2439
Date PublishedAPR
Type of ArticleArticle
ISSN0947-6539
Keywordscrystal engineering, hydrogen bonds, nitrogen heterocycles, structure elucidation
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.

DOI10.1002/chem.200400340
Type of Journal (Indian or Foreign)

Foreign

Impact Factor (IF)

5.771

Divison category: 
Organic Chemistry