Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-fluorobenzylidene)amino]-5-phenylthia-zolidin-2-iminium bromide

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dc.authorid0000-0002-1141-5151
dc.contributor.authorKhalilov, Ali N.
dc.contributor.authorAtioğlu, Zeliha
dc.contributor.authorAkkurt, Mehmet
dc.contributor.authorDuruskari, Gulnara Sh.
dc.contributor.authorToze, A. A. Flavien
dc.contributor.authorHuseynova, Afet T.
dc.date.accessioned2020-06-27T10:16:14Z
dc.date.available2020-06-27T10:16:14Z
dc.date.issued2019en_US
dc.departmentKapadokya Üniversitesi, Uygulamalı Bilimler Yüksekokulu, Havacılık Elektrik ve Elektroniği Bölümü
dc.descriptionTARAMAPUBMED
dc.descriptionTARAMASCOPUS
dc.descriptionTARAMAWOS
dc.description.abstractIn the cation of the title salt, C16H15FN3S+·Br?, the phenyl ring is disordered over two sets of sites with a refined occupancy ratio of 0.503?(4):0.497?(4). The mean plane of the thia­zolidine ring makes dihedral angles of 13.51?(14), 48.6?(3) and 76.5?(3)° with the fluoro­phenyl ring and the major- and minor-disorder components of the phenyl ring, respectively. The central thia­zolidine ring adopts an envelope conformation. In the crystal, centrosymmetrically related cations and anions are linked into dimeric units via N—H...Br hydrogen bonds, which are further connected by weak C—H...Br hydrogen bonds into chains parallel to [110]. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H...H (44.3%), Br...H/H...Br (16.8%), C...H/H...C (13.9%), F...H/H...F (10.3%) and S...H/H...S (3.8%) inter­actions.
dc.description.abstractIn the cation of the title salt, C16H15FN3S+·Br?, the phenyl ring is disordered over two sets of sites with a refined occupancy ratio of 0.503?(4):0.497?(4). The mean plane of the thia­zolidine ring makes dihedral angles of 13.51?(14), 48.6?(3) and 76.5?(3)° with the fluoro­phenyl ring and the major- and minor-disorder components of the phenyl ring, respectively. The central thia­zolidine ring adopts an envelope conformation. In the crystal, centrosymmetrically related cations and anions are linked into dimeric units via N—H...Br hydrogen bonds, which are further connected by weak C—H...Br hydrogen bonds into chains parallel to [110]. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H...H (44.3%), Br...H/H...Br (16.8%), C...H/H...C (13.9%), F...H/H...F (10.3%) and S...H/H...S (3.8%) inter­actions.
dc.identifier.citationKHALİLOV, A. N., ATİOĞLU, Z., AKKURT, M., DURUSKARI, G. S., TOZE, F. A., & HUSEYNOVA, A. T. (2019). Crystal structure and Hirshfeld surface analysis of E 3 4 fluorobenzylidene amino 5 phenylthiazolidin 2 iminium bromide. Acta Crystallographica Section E: Crystallographic Communications, 75(5), 662–666.
dc.identifier.doi10.1107/S2056989019004973
dc.identifier.endpage666en_US
dc.identifier.issn2056-9890
dc.identifier.issue5en_US
dc.identifier.scopusqualityQ3
dc.identifier.startpage662en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12695/567
dc.identifier.urihttps://doi.org/10.1107/S2056989019004973
dc.identifier.volume75en_US
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Sceince
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.institutionauthorAtioğlu, Zeliha
dc.language.isoen
dc.relation.ispartofActa Crystallographica Section E: Crystallographic Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsAttribution-NonCommercial-ShareAlike 4.0 International*
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.rights.urihttps://creativecommons.org/licenses/by-nc-sa/4.0/*
dc.subjectCrystal structure
dc.subjectCharge assisted hydrogen bonding
dc.subjectThia­zolidine ring
dc.subjectDisorder
dc.subjectHirshfeld surface analysis
dc.titleCrystal structure and Hirshfeld surface analysis of (E)-3-[(4-fluorobenzylidene)amino]-5-phenylthia-zolidin-2-iminium bromide
dc.typeArticle

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