Co-crystallisation of cytosine with 1, 10-phenanthroline: computational screening and experimental realisation1. Issue 37 (7th October 2015)

• Record Type: Journal Article
• Authors: Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.
• Is Part Of: CrystEngComm. Volume 17:Issue 37(2015)
• Page Start: 7130
• Page End: 7141
• Publication Date: 2015-10-07
• Subjects: Crystals -- Periodicals; Crystal growth -- Periodicals; Crystallography -- Periodicals; Cristaux -- Périodiques; Cristaux -- Croissance -- Périodiques; Cristallographie -- Périodiques; 548
• DOI: 10.1039/c5ce01286d
• Languages: English
• ISSNs: 1466-8033

Abstract

<abstract abstract-type="toc"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <graphic position="anchor" id="ga" xlink:href="ark:/27927/pgj2qrm4xdz" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" />Crystal structure prediction calculations applied to co-crystals of 1, 10-phenanthroline and nucleobases (A, T, C, G) show that only cytosine is expected to form a 1 : 1 co-crystal. Experiments provide verification for this result although the observed co-crystal crystallises with <italic>Z</italic>′ = 2, not <italic>Z</italic>′ = 1.</p> </abstract>