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X-ray structures of 3-acetyloxazolidin-2-one, 3-acetyloxazolin-2-one and oxazolin-2(3H)-one
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dc.contributor.author | Aitken, R Alan | |
dc.contributor.author | Logan, Joe S. | |
dc.contributor.author | Slawin, Alexandra Martha Zoya | |
dc.date.accessioned | 2022-09-14T17:30:01Z | |
dc.date.available | 2022-09-14T17:30:01Z | |
dc.date.issued | 2022-09-14 | |
dc.identifier | 281273361 | |
dc.identifier | ceed206a-6896-456e-86ff-1a1fa136cd8b | |
dc.identifier | 000856802000001 | |
dc.identifier | 85138601042 | |
dc.identifier.citation | Aitken , R A , Logan , J S & Slawin , A M Z 2022 , ' X-ray structures of 3-acetyloxazolidin-2-one, 3-acetyloxazolin-2-one and oxazolin-2(3 H )-one ' , Molbank , vol. 2022 , no. 3 , M1445 . https://doi.org/10.3390/M1445 | en |
dc.identifier.issn | 1422-8599 | |
dc.identifier.other | ORCID: /0000-0001-6959-5311/work/119212352 | |
dc.identifier.other | ORCID: /0000-0002-9527-6418/work/119212359 | |
dc.identifier.uri | https://hdl.handle.net/10023/26017 | |
dc.description.abstract | The X-ray structures of three simple heterocyclic compounds have been obtained for the first time. Structures of both 3-acetyloxazolidin-2-one 1 and its unsaturated analogue 3-acetyloxazolin-2-one 3 show a planar imide nitrogen with the exocyclic C=O oriented anti to the ring N–C(=O) bond and negligible intermolecular interactions, a pattern consistent with previously reported analogues. In contrast the parent NH heterocycle, oxazolin-2(3H)-one 4 , exists as hydrogen bonded dimers of two closely similar independent molecules but an unusual type of disorder involving exchange of the ring O and NH positions results in a very high R factor. | |
dc.format.extent | 6 | |
dc.format.extent | 2214798 | |
dc.language.iso | eng | |
dc.relation.ispartof | Molbank | en |
dc.subject | Oxazolidin-2-one | en |
dc.subject | Oxazolin-2(3H)-one | en |
dc.subject | X-ray structure | en |
dc.subject | Hydrogen bonding | en |
dc.subject | QD Chemistry | en |
dc.subject | DAS | en |
dc.subject.lcc | QD | en |
dc.title | X-ray structures of 3-acetyloxazolidin-2-one, 3-acetyloxazolin-2-one and oxazolin-2(3H)-one | en |
dc.type | Journal article | en |
dc.contributor.institution | University of St Andrews. EaSTCHEM | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.identifier.doi | 10.3390/M1445 | |
dc.description.status | Peer reviewed | en |
dc.identifier.url | https://www.mdpi.com/1422-8599/2022/3/M1445/htm | en |
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