Hydrothermal synthesis of organic channel structures: 1:1 hydrogen- bonded adducts of melamine with cyanuric and trithiocyanuric acids [3]

Journal of the American Chemical Society

Volumn 121, Issue 8, 1999, Pages 1752-1753

  Ranganathan, Anupama ^a   Pedireddi, V R ^a   Rao, C N R ^a  

^a JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CYANURIC ACID; MELAMINE; SOLVENT;

AQUEOUS SOLUTION; CRYSTALLIZATION; HYDROGEN BOND; LETTER; PROTEIN STRUCTURE; SYNTHESIS; THERMODYNAMICS;

EID: 0033518884     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja983928o     Document Type: Letter

References (17)

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8. TCA decomposed when the temperature was maintained at 180°C as in the case of CA.
9. -3. Hydrogen atoms were not included in the refinement, but including the hydrogen atoms in the calculated positions improves the R-factor by 1%.
10. The best stacking arrangement was one with alternating CA and M molecules (with 50% occupation each), as established by the low R-factor and also by energy calculations using the MOPAC program. The least stable arrangement is the one with CA on top of another CA, as one would expect.
11. -1 relative to CA on CA. The packing coefficient of the CA·M adduct calculated by using Cerius is 67.5%.
12. Vogtle, F. Supramolecular Chemistry: Wiley: Chichester, 1971.
13. -3. Hydrogen atoms were not included in the refinement, but including the hydrogen atoms in the calculated positions improves the R-factor by 1%. The best stacking arrangement is TCA on top of M (see (8) for details). The packing coefficient of the adduct is 74.6% as calculated from Cerius.
14. The powder X-ray diffraction pattern of the CA·M adduct simulated on the basis of structure found by us agrees with the experimental powder pattern of the precipitate or of the polycrystalline sample.
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