Dipole-induced polymorphs of trans-2-hydroxycycloheptanecarboxylic acid with virtually the same unit cell |
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Authors: | Kálmán Alajos Fábián László Argay Gyula Bernáth Gábor Gyarmati Zsuzsanna |
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Affiliation: | Institute of Chemistry, Chemical Research Center, Hungarian Academy of Sciences, P.O. Box 17, Budapest 114, H-1525, Hungary. akalman@chemres.hu |
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Abstract: | The polymorphs of trans-2-hydroxycycloheptanecarboxylic acid have exactly the same lattice parameters and thus mimic isomorphism. They differ only in their space group: Pna21 versus Pn21a. In form II, the screw axes turn the 18-membered rings of hydrogen-bonded tetramers around the b axis. In this way, the stacking of the layers becomes antiparallel, which cancels out the dipoles within the unit cell. In form I, the same turn around the c axis leaves the stacking of the layers parallel. Thus, the dipoles are canceled out by antiparallel domains in the crystals. Between the antiparallel domains of I, each frontier is a double layer of II. This implies that (a) a pure form of I cannot be isolated and (b) the percentage of II in I may alter from crystal to crystal. |
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