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The same but different: isostructural polymorphs and the case of 3-chloromandelic acid

The same but different: isostructural polymorphs and the case of 3-chloromandelic acid
The same but different: isostructural polymorphs and the case of 3-chloromandelic acid
The expression "isostructural polymorphs" would appear to be an impossible combination of two mutually incompatible words. "Isostructural" implies a high degree of structural similarity; however, conversely, "polymorph" implies structural distinguishability. The structures of two newly determined polymorphs of 3-chloromandelic acid nevertheless justify the use of this expression, for they differ only in crystal symmetry and hardly at all in molecular position or conformation within the crystalline lattice. We demonstrate that parameters derived by the XPac program can be useful in establishing the limits of isostructurality.
1528-7483
1623-1628
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Threlfall, Terence L.
dc1fe3b2-c0c1-465c-942f-dbd4af68a37e
Tizzard, Graham J.
8474c0fa-40df-43a6-a662-7f3c4722dbf2
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Threlfall, Terence L.
dc1fe3b2-c0c1-465c-942f-dbd4af68a37e
Tizzard, Graham J.
8474c0fa-40df-43a6-a662-7f3c4722dbf2

Coles, Simon J., Threlfall, Terence L. and Tizzard, Graham J. (2014) The same but different: isostructural polymorphs and the case of 3-chloromandelic acid. Crystal Growth & Design, 14 (4), 1623-1628. (doi:10.1021/cg401655h).

Record type: Article

Abstract

The expression "isostructural polymorphs" would appear to be an impossible combination of two mutually incompatible words. "Isostructural" implies a high degree of structural similarity; however, conversely, "polymorph" implies structural distinguishability. The structures of two newly determined polymorphs of 3-chloromandelic acid nevertheless justify the use of this expression, for they differ only in crystal symmetry and hardly at all in molecular position or conformation within the crystalline lattice. We demonstrate that parameters derived by the XPac program can be useful in establishing the limits of isostructurality.

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More information

Published date: April 2014
Organisations: Organic Chemistry: Synthesis, Catalysis and Flow, Chemistry, Faculty of Natural and Environmental Sciences

Identifiers

Local EPrints ID: 369254
URI: http://eprints.soton.ac.uk/id/eprint/369254
ISSN: 1528-7483
PURE UUID: d84ccde6-9d8d-46b3-9640-1dc7ccc3b9de
ORCID for Simon J. Coles: ORCID iD orcid.org/0000-0001-8414-9272
ORCID for Graham J. Tizzard: ORCID iD orcid.org/0000-0002-1577-5779

Catalogue record

Date deposited: 30 Sep 2014 15:36
Last modified: 18 Feb 2021 16:57

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