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The crystal structures of three disordered 2-substituted benzimidazole esters.

Authors :
Chinthal, Chayanna Harish
Yathirajan, Hemmige S.
Manju, Nagaraja
Kalluraya, Balakrishna
Foro, Sabine
Glidewell, Christopher
Source :
Acta Crystallographica Section E: Crystallographic Communications. May2021, Vol. 77 Issue 5, p473-479. 25p.
Publication Year :
2021

Abstract

The crystal structures of three benzimidazole esters containing aryl or heterocyclic substituents at position 2 are reported, and all three exhibit disorder of mol­ecular entities. In ethyl 1-methyl-2-[4-(prop-2-yn­oxy)phen­yl]-1H-benzimidazole-5-carboxyl­ate, C20H18N2O3, (I), the prop-2-yn-1-oxyphenyl unit is disordered over two sets of atomic sites having effectively equal occupancies, 0.506 (5) and 0.494 (5). The propyl substituent in ethyl 1-propyl-2-(pyren-1-yl)-1H-benzimidazole-5-carboxyl­ate, C29H24N2O2, (II), is disordered over two sets of atomic sites having occupancies 0.601 (8) and 0.399 (8), and the ester unit in ethyl 1-methyl-2-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1H-benzimidazole-5-carboxyl­ate, C21H19ClN4O2 (III), is disordered over two sets of atomic sites having occupancies 0.645 (7) and 0.355 (7). In each of the C—H...π(arene) hydrogen bonds in (I), the donor and acceptor form parts of different disorder components, so that no continuous aggregation is possible. The mol­ecules of (II) are linked by a single C—H...O hydrogen bond into C(10) chains, which are linked into sheets by a π–π stacking inter­action, whereas those of (III) are just linked into C(13) chains, again by a single C—H...O hydrogen bond. Comparisons are made with the structures of some related compounds. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20569890
Volume :
77
Issue :
5
Database :
Academic Search Index
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
150195778
Full Text :
https://doi.org/10.1107/S2056989021003364