Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance work on Wednesday 22nd May 2019 from 11:00 AM to 1:00 PM (GMT).

During this time our website performance may be temporarily affected. We apologise for any inconvenience this might cause and thank you for your patience.

Structural behaviour of OP-ROY at extreme conditions

Author affiliations


The effects of high pressure and low temperature have been explored on the ‘orange-plate’ (OP) form of the highly-polymorphic 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile molecular crystal structures. Neutron powder and single-crystal diffraction measured up to 9.3 GPa and 40 K, respectively, show that the crystal structure is robust, retaining P21/n symmetry over the pressure and temperature range studied, even though it is revealed to be quite soft, having a bulk modulus of 4.3(3) GPa. Intermolecular and lattice energies become progressively less favourable with pressure, relative to the thermodynamically-stable ‘yellow’ (Y, P21/n) form, showing that the kinetic barriers to transformation, stabilising the material, persist from ambient to extreme conditions.

Graphical abstract: Structural behaviour of OP-ROY at extreme conditions

Back to tab navigation

Supplementary files

Publication details

The article was received on 13 Nov 2018, accepted on 19 Dec 2018 and first published on 20 Dec 2018

Article type: Paper
DOI: 10.1039/C8CE01946K
CrystEngComm, 2019, Advance Article

  •   Request permissions

    Structural behaviour of OP-ROY at extreme conditions

    N. P. Funnell, C. L. Bull, C. J. Ridley and S. Capelli, CrystEngComm, 2019, Advance Article , DOI: 10.1039/C8CE01946K

Search articles by author