Aromatic Interactions in the Cambridge Structural Database: Comparison of Interaction Geometries and Investigation of Molecular Descriptors as an Indicator of Strong Interactions

Autor: Elna Pidcock, Ghazala Sadiq, Joanna S. Stevens, Robert D. Willacy

Publikováno v: Crystal Growth & Design. 22:788-802

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5e1bd210f0d9d64839c7025d2e6edd3e
https://doi.org/10.1021/acs.cgd.1c01293

What have we learned from the 7th Blind Test of Crystal Structure Prediction? Triumphs, challenges and insights

Autor: Lily Hunnisett, Jason Cole, Ghazala Sadiq

Publikováno v: Acta Crystallographica Section A Foundations and Advances. 78:a136-a136

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::75100e9b962c76c06e681f973ddf3bee
https://doi.org/10.1107/s2053273322098631

Can solvated intermediates inform us about nucleation pathways? The case of β-pABA

Autor: David H. Bowskill, H. Abdullahi, D. Tulegenov, E. Taylor, Sarah E. Wright, Ghazala Sadiq, Isaac J. Sugden, Roger J. Davey, Aurora J. Cruz-Cabeza

Publikováno v: Cruz-cabeza, A J, Taylor, E, Sugden, I J, Bowskill, D H, Wright, S E, Abdullahi, H, Tulegenov, D, Sadiq, G & Davey, R J 2020, ' Can solvated intermediates inform us about nucleation pathways? The case of β-pABA ', CrystEngComm . https://doi.org/10.1039/D0CE00970A, https://doi.org/10.1039/d0ce00970a
Wright, S 2020, ' Can solvated intermediates inform us about nucleation pathways? The case of β-pABA ', CrystEngComm . https://doi.org/10.1039/d0ce00970a

Classical nucleation theory teaches the idea that molecular clusters form and grow in solution and that depending on prevailing conditions there is a chance for some to grow large enough to overcome the interfacial energy penalty and become mature cr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9ee3ca70447cb6baa9b3229233baa5fd
http://hdl.handle.net/10044/1/84540

Racemic compound versus conglomerate: concerning the crystal chemistry of the triazoylketone, 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one

Autor: Ghazala Sadiq, Roger J. Davey, Céline Rougeot, Colin C. Seaton, Robin G. Pritchard, Gérard Coquerel

Publikováno v: CrystEngComm
CrystEngComm, Royal Society of Chemistry, 2014, 16 (21), pp.4377-4381. ⟨10.1039/C4CE00615A⟩

The triazoylketone discussed in this paper crystallises from racemic solutions as a conglomerate. Here, we report the ternary phase diagram confirming the conglomerate behaviour of this molecule. Through computation we also explore the underlying rea

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d35c300668ca27462aee9ae9abc27bf
https://doi.org/10.1039/c4ce00615a

Crystallising trimesic acid from DMSO solutions – can crystallography teach us anything about the process of crystal nucleation?

Autor: Robin G. Pritchard, Ghazala Sadiq, G. Dent, Monika Brychczynska, Roger J. Davey

Publikováno v: CrystEngComm. 15:856-859

Using combined X-ray diffraction and FTIR spectroscopy, a remarkable similarity is revealed between the local environments of trimesic acid in solution and in its most metastable trisolvate with DMSO. The implications of this for the nature of the nu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::502155817c240a62a7bc0eaa8cdf4e8e
https://doi.org/10.1039/c2ce26712h