| Literature DB >> 23579718 |
V Rajni Swamy1, P Müller, N Srinivasan, S Perumal, R V Krishnakumar.
Abstract
The two new isomorphous structures [3-methyl-4-(4-methylphenyl)-1-phenyl-6-trifluoromethyl-1H-pyrazolo[3,4-b]pyridin-5-yl](thiophen-2-yl)methanone, C26H18F3N3OS, (I), and [4-(4-chlorophenyl)-3-methyl-1-phenyl-6-trifluoromethyl-1H-pyrazolo[3,4-b]pyridin-5-yl](thiophen-2-yl)methanone, C25H15ClF3N3OS, (II), are shown to obey the chlorine-methyl exchange rule. Both structures show extensive disorder, treatment of which greatly improves the quality of the description of the structures. In addition, it is worth noting that the presence of extensive disorder may make it difficult to detect the isomorphism automatically during data-mining procedures (such as searches of the Cambridge Structural Database).Entities:
Year: 2013 PMID: 23579718 DOI: 10.1107/S0108270113004812
Source DB: PubMed Journal: Acta Crystallogr C ISSN: 0108-2701 Impact factor: 1.172