Literature DB >> 23579718

Isomorphous methyl- and chloro-substituted small heterocyclic analogues obeying the chlorine-methyl (Cl-Me) exchange rule.

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


  3 in total

1.  Crystal structure and mol-ecular Hirshfeld surface analysis of acenaphthene derivatives obeying the chlorine-methyl exchange rule.

Authors:  R Sribala; S Indhumathi; R V Krishnakumar; N Srinivasan
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2019-09-12

2.  Crystal structure of [4-(2-meth-oxy-phen-yl)-3-methyl-1-phenyl-6-tri-fluoro-methyl-1H-pyrazolo-[3,4-b]pyridin-5-yl](thio-phen-2-yl)methanone.

Authors:  V Rajni Swamy; P Gunasekaran; R V Krishnakumar; N Srinivasan; P Müller
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2014-08-06

3.  Isomorphous diethyl 1-(4-chloro-benz-yl)-4-(4-chloro-phen-yl)-2,2-dioxo-3,4,6,7,8,8a-hexa-hydro-1H-pyrrolo-[2,1-c][1,4]thia-zine-1,3-di-carboxyl-ate and its 1-(4-methyl-benz-yl)-4-(4-methyl-phen-yl)-substituted analogue obeying the chloro-methyl exchange rule.

Authors:  R Sribala; N Srinivasan; S Indumathi; R V Krishnakumar
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2018-08-16
  3 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.