Structural investigation and compression of a co-crystal of indomethacin and saccharin

Connor, Lauren E. and Vassileiou, Antony D. and Halbert, Gavin W. and Johnston, Blair F. and Oswald, Iain D.H. (2019) Structural investigation and compression of a co-crystal of indomethacin and saccharin. CrystEngComm, 21 (30). pp. 4465-4472. ISSN 1466-8033 (https://doi.org/10.1039/C9CE00838A)

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Abstract

The co-crystalline structure of the non-steroidal, anti-inflammatory indomethacin with the non-toxic, Generally Regarded As Safe (GRAS) sweetener component saccharin was investigated up to 6.33 GPa using a Diamond Anvil Cell (DAC). Single crystal X-ray diffraction measurements show that the co-crystal remains in the same triclinic, P-1, phase throughout the compression with a significant reduction in void space (155.69 to 55.61Å3). Information on the response of different types of intermolecular interactions to external force at the same time is enabled by the use of a co-crystal. We have rationalised that the length and compression rate of the saccharin amide dimer in the co-crystal is caused by the dimer sitting in a ‘pocket’ surrounded by the indomethacin framework. This framework reduces the effects of molecular packing on the dimer allowing for an ideal hydrogen bonding geometry.

ORCID iDs

Connor, Lauren E. ORCID logoORCID: https://orcid.org/0000-0002-4626-8921, Vassileiou, Antony D. ORCID logoORCID: https://orcid.org/0000-0001-8146-8972, Halbert, Gavin W., Johnston, Blair F. ORCID logoORCID: https://orcid.org/0000-0001-9785-6822 and Oswald, Iain D.H. ORCID logoORCID: https://orcid.org/0000-0003-4339-9392;
CORE (COnnecting REpositories)