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The X-ray Structures of 2,4-Dibromothiazole and 2,4-diacetyl-5-bromothiazole
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dc.contributor.author | Aitken, Kati Marianne | |
dc.contributor.author | Aitken, R Alan | |
dc.contributor.author | MacGregor, Callum I. | |
dc.contributor.author | Traore, Mohamed D. M. | |
dc.contributor.author | Slawin, Alexandra Martha Zoya | |
dc.date.accessioned | 2015-11-17T12:10:02Z | |
dc.date.available | 2015-11-17T12:10:02Z | |
dc.date.issued | 2015-12 | |
dc.identifier.citation | Aitken , K M , Aitken , R A , MacGregor , C I , Traore , M D M & Slawin , A M Z 2015 , ' The X-ray Structures of 2,4-Dibromothiazole and 2,4-diacetyl-5-bromothiazole ' , Journal of Chemical Crystallography , vol. 45 , no. 10-12 , pp. 461-465 . https://doi.org/10.1007/s10870-015-0615-x | en |
dc.identifier.issn | 1074-1542 | |
dc.identifier.other | PURE: 228053896 | |
dc.identifier.other | PURE UUID: 84b4386e-a781-495b-8351-f9c504c47d51 | |
dc.identifier.other | Scopus: 84947939935 | |
dc.identifier.other | ORCID: /0000-0001-6959-5311/work/34857575 | |
dc.identifier.other | ORCID: /0000-0002-9527-6418/work/56861406 | |
dc.identifier.other | WOS: 000365444500005 | |
dc.identifier.uri | https://hdl.handle.net/10023/7802 | |
dc.description.abstract | 2,4-Dibromothiazole [orthorhombic, a = 6.700(10), b = 16.21(3), c = 5.516(8) Å, space group Fmm2] shows a disordered crystal structure with molecules randomly oriented with respect to the direction of the Br–C(2)–N–C(2)–Br unit and the remaining ring atoms S(3) and C(3)H showing mixed occupancy. 2,4-Diacetyl-5-bromothiazole [triclinic, a = 4.040(2), b = 8.254(5), c = 13.208(8) Å, α = 96.191(17), β = 93.865(16), γ = 94.067(11) °, space group P-1] shows a structure dominated by halogen bonding, intramolecular between 4-COMe and 5-Br and intermolecular between 2-COMe of one molecule and 5-Br of the next. | |
dc.format.extent | 5 | |
dc.language.iso | eng | |
dc.relation.ispartof | Journal of Chemical Crystallography | en |
dc.rights | © The Author(s) 2015. This article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. | en |
dc.subject | Thaizole | en |
dc.subject | Bromothiazole | en |
dc.subject | Disorder | en |
dc.subject | Halogen bonding | en |
dc.subject | QD Chemistry | en |
dc.subject | DAS | en |
dc.subject.lcc | QD | en |
dc.title | The X-ray Structures of 2,4-Dibromothiazole and 2,4-diacetyl-5-bromothiazole | en |
dc.type | Journal article | en |
dc.contributor.sponsor | EPSRC | en |
dc.description.version | Publisher PDF | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.contributor.institution | University of St Andrews. EaSTCHEM | en |
dc.identifier.doi | https://doi.org/10.1007/s10870-015-0615-x | |
dc.description.status | Peer reviewed | en |
dc.identifier.grantnumber | EP/K039210/1 | en |
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