TY - JOUR
T1 - Structural rationalisation of co-crystals formed between trithiocyanuric acid and molecules containing hydrogen bonding functionality
AU - Ahn, S
AU - PrakashaReddy, J
AU - Kariuki, Benson
AU - Chatterjee, S
AU - Ranganathan, A
AU - Pedireddi, VR
AU - Rao, CNR
AU - Harris, KDM
PY - 2005/4/8
Y1 - 2005/4/8
N2 - 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.
AB - 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.
KW - crystal engineering
KW - structure elucidation
KW - nitrogen heterocycles
KW - hydrogen bonds
UR - http://www.scopus.com/inward/record.url?scp=17444398652&partnerID=8YFLogxK
U2 - 10.1002/chem.200400340
DO - 10.1002/chem.200400340
M3 - Article
C2 - 15696584
SN - 1521-3765
VL - 11
SP - 2433
EP - 2439
JO - Chemistry: A European Journal
JF - Chemistry: A European Journal
IS - 8
ER -