Files in this item
The crystal structures of three disordered 2-substituted benzimidazole esters
Item metadata
dc.contributor.author | Chinthal, Chayanna Harish | |
dc.contributor.author | Yathirajan, Hemmige S. | |
dc.contributor.author | Manju, Nagaraja | |
dc.contributor.author | Kalluraya, Balakrishna | |
dc.contributor.author | Foro, Sabine | |
dc.contributor.author | Glidewell, Christopher | |
dc.date.accessioned | 2021-05-27T08:30:13Z | |
dc.date.available | 2021-05-27T08:30:13Z | |
dc.date.issued | 2021-05 | |
dc.identifier | 274371021 | |
dc.identifier | 28814929-a8f5-4f8c-bc08-ab800f013787 | |
dc.identifier | 85105701847 | |
dc.identifier | 000648788100003 | |
dc.identifier.citation | Chinthal , C H , Yathirajan , H S , Manju , N , Kalluraya , B , Foro , S & Glidewell , C 2021 , ' The crystal structures of three disordered 2-substituted benzimidazole esters ' , Acta Crystallographica Section E Crystallographic Communications , vol. 77 , no. Part 5 , pp. 473-479 . https://doi.org/10.1107/S2056989021003364 | en |
dc.identifier.issn | 2056-9890 | |
dc.identifier.other | RIS: urn:2DE3657C98E4A71C4D74FB5BEC0CE590 | |
dc.identifier.uri | https://hdl.handle.net/10023/23262 | |
dc.description | HSY thanks the University Grants Commission, New Delhi, for the award of a BSR Faculty Fellowship for three years. | en |
dc.description.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. | |
dc.format.extent | 7 | |
dc.format.extent | 1289982 | |
dc.language.iso | eng | |
dc.relation.ispartof | Acta Crystallographica Section E Crystallographic Communications | en |
dc.subject | Benzimidazoles | en |
dc.subject | Crystal structure | en |
dc.subject | Disorder | en |
dc.subject | Heterocyclic compounds | en |
dc.subject | Hydrogen bonding | en |
dc.subject | Supramolecular assembly | en |
dc.subject | QD Chemistry | en |
dc.subject | DAS | en |
dc.subject.lcc | QD | en |
dc.title | The crystal structures of three disordered 2-substituted benzimidazole esters | en |
dc.type | Journal article | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.identifier.doi | 10.1107/S2056989021003364 | |
dc.description.status | Peer reviewed | en |
This item appears in the following Collection(s)
Items in the St Andrews Research Repository are protected by copyright, with all rights reserved, unless otherwise indicated.