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Structural Rationalisation of Co‐crystals Formed between Trithiocyanuric Acid and Molecules Containing Hydrogen Bonding Functionality
Author(s) -
Ahn Shinbyoung,
PrakashaReddy J.,
Kariuki Benson M.,
Chatterjee Swati,
Ranganathan Anupama,
Pedireddi V. R.,
Rao C. N. R.,
Harris Kenneth D. M.
Publication year - 2005
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200400340
Subject(s) - hydrogen bond , molecule , crystal structure , crystallography , solvent , chemistry , butanone , crystallization , acetonitrile , methanol , materials science , organic chemistry
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 NH 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.