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

Hassan Hosseini Monfared; Anne-Christine Chamayou; Soliman Khajeh; Christoph Janiak

doi:10.1039/C0CE00041H

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CrystEngComm

Issue 11, 2010

Design and understanding of solid-state and crystalline materials

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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

Hassan Hosseini Monfared,*^a Anne-Christine Chamayou,^b Soliman Khajeh^a and Christoph Janiak*^b

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Department of Chemistry, Zanjan University, Zanjan, Islamic Republic of Iran
E-mail: monfared@znu.ac.ir

Institut für Anorganische und Analytische Chemie, Universität Freiburg, Albertstr. 21, Freiburg, Germany
E-mail: janiak@uni-freiburg.de

CrystEngComm, 2010,12, 3526-3530

DOI: 10.1039/C0CE00041H
Received 29 Mar 2010, Accepted 04 Jul 2010
First published online 03 Aug 2010

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Abstract
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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.

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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

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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

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