Can a small amount of crystal solvent be overlooked or have no structural effect? Isomorphous non-stoichiometric hydrates (pseudo-polymorphs): the case of salicylaldehyde thiosemicarbazone

Compound (E)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide (salicylaldehyde thiosemicarbazone) (1) is discussed as an isomorphous non-stoichiometric hydrate, that is, while the relative amount of the water guest molecules varies all the crystal structures are "nearly the same" and all th...

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Bibliographic Details
Published in:CrystEngComm 2010-01, Vol.12 (11), p.3526-3530
Main Authors: Monfared, Hassan Hosseini, Chamayou, Anne-Christine, Khajeh, Soliman, Janiak, Christoph
Format: Article
Language:English
Subjects:
Crystal structure
Crystallization
Crystals
Hydrates
Hydrogen bonding
Molecular structure
Solvents
Unit cell
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Summary:Compound (E)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide (salicylaldehyde thiosemicarbazone) (1) is discussed as an isomorphous non-stoichiometric hydrate, that is, while the relative amount of the water guest molecules varies all the crystal structures are "nearly the same" and all the molecular structures of 1 are "the same". Compound 1 can crystallize isomorphous with no and different non-stoichiometric small amounts of crystal water (0.095, 0.17 and 0.20H2O per formula unit were found). Unit cell dimensions and the crystal packing of the molecules with their hydrogen bonding are virtually unaffected by the presence or absence of the crystal water.
ISSN:1466-8033
1466-8033
DOI:10.1039/c0ce00041h