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Are oxygen and sulfur atoms structurally equivalent in organic crystals?

Corpinot, MK; Guo, R; Tocher, DA; Buanz, ABM; Gaisford, S; Price, SL; Bučar, DK; (2017) Are oxygen and sulfur atoms structurally equivalent in organic crystals? Crystal Growth and Design , 17 (2) pp. 827-833. 10.1021/acs.cgd.6b01669. Green open access

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Abstract

New guidelines for the design of structurally equivalent molecular crystals were derived from structural analyses of new cocrystals and polymorphs of saccharin and thiosaccharin, aided by a computational study. The study shows that isostructural crystals may be obtained through an exchange of >C?O with >C?S in the molecular components of the solids, but only if the exchanged atom is not involved in hydrogen bonding.

Type: Article
Title: Are oxygen and sulfur atoms structurally equivalent in organic crystals?
Open access status: An open access version is available from UCL Discovery
DOI: 10.1021/acs.cgd.6b01669
Publisher version: http://doi.org/10.1021/acs.cgd.6b01669
Language: English
Additional information: © 2016 American Chemical Society. ACS AuthorChoice - This is an open access article published under a Creative Commons Attribution (CC-BY) License, which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy > Pharmaceutics
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: http://discovery.ucl.ac.uk/id/eprint/1542264
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