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Are oxygen and sulfur atoms structurally equivalent in organic crystals?

DOI: 10.1021/acs.cgd.6b01669 DOI Help

Authors: Merina K. Corpinot (University College London) , Rui Guo (University College London) , Derek A. Tocher (University College London) , Asma B. M. Buanz (University College London) , Simon Gaisford (University College London) , Sarah L. Price (University College London) , Kreso Bucar (University College London)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Crystal Growth & Design

State: Published (Approved)
Published: December 2016
Diamond Proposal Number(s): 12735

Open Access Open Access

Abstract: New guidelines for the design of structurally equivalent molecular crystals were derived from a structural analysis 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 ex-changed atom is not involved in hydrogen bonding.

Journal Keywords: Supramolecular chemistry; Crystals; Noncovalent interactions; Crystal structure; Lattices

Subject Areas: Chemistry, Medicine

Instruments: I12-JEEP: Joint Engineering, Environmental and Processing

Added On: 05/01/2017 11:22


Discipline Tags:

Chemistry Organic Chemistry

Technical Tags:

Diffraction X-ray Powder Diffraction