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dc.contributor.authorRestrepo, Jelem
dc.contributor.authorGlidewell, Christopher
dc.contributor.authorCubillán, Néstor
dc.contributor.authorAlvarado, Ysaias
dc.contributor.authorDege, Necmi
dc.contributor.authorMorales-Toyo, Miguel
dc.date.accessioned2019-09-27T23:37:35Z
dc.date.available2019-09-27T23:37:35Z
dc.date.issued2018-09-28
dc.identifier.citationRestrepo , J , Glidewell , C , Cubillán , N , Alvarado , Y , Dege , N & Morales-Toyo , M 2018 , ' Synthesis, crystal structure, and non-covalent interactions in ethyl 4-hydrazinobenzoate hydrochloride ' , Journal of Molecular Structure , vol. In press . https://doi.org/10.1016/j.molstruc.2018.09.056en
dc.identifier.issn0022-2860
dc.identifier.otherPURE: 256102045
dc.identifier.otherPURE UUID: 79d504fc-5368-4a82-8550-04781453fd75
dc.identifier.otherRIS: urn:83D35339F0139C0D12D2E56013DE4B6A
dc.identifier.otherScopus: 85056160450
dc.identifier.otherWOS: 000450377600043
dc.identifier.urihttp://hdl.handle.net/10023/18574
dc.descriptionThe authors thank Fondo Nacional de Ciencia, Tecnología e Innovación (FONACIT Proyecto de apoyo a Grupos No. G-2005000403). Proyecto 1063, Instituto Venezolano de Investigaciones Científicas (IVIC). We thank Dr. Duane Choquesillo-Lazarte (LEC, IACT-CSIC), for the X-ray data collection.en
dc.description.abstractThe compound ethyl 4-hydrazinobenzoate hydrochloride (E-4HB), C9H13N2O2Cl, has been synthesized and characterized by FT-IR, 1H and 13C NMR and X-ray diffraction. The compound crystallizes as colourless plates in the triclinic space group P-1, with Z' = 2 and cell parameters a = 5.9566 (4) Å, b = 7.4498 (6) Å, c = 23.5349 (17) Å, α = 84.323 (3), β = 84.521 (3), γ = 80.257 (3), V = 1020.95 (13) Å3. The component ions are linked by two N-H...N hydrogen bonds and eight N-H...Cl hydrogen bonds to form complex sheets in which each of the chloride ions accepts hydrogen bonds from four different cations. Calculations on the Non-Covalent Interactions (NCI) amplify the crystallographic conclusions concerning the intermolecular hydrogen bonds.
dc.language.isoeng
dc.relation.ispartofJournal of Molecular Structureen
dc.rightsCopyright © 2018 Elsevier B. V. This work has been made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at: https://doi.org/10.1016/j.molstruc.2018.09.056en
dc.subjectSynthesisen
dc.subjectCrystal structureen
dc.subjectMolecular structureen
dc.subjectHydrogen bondingen
dc.subjectModelling of non-covalent interactionsen
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subject.lccQDen
dc.titleSynthesis, crystal structure, and non-covalent interactions in ethyl 4-hydrazinobenzoate hydrochlorideen
dc.typeJournal articleen
dc.description.versionPostprinten
dc.contributor.institutionUniversity of St Andrews.School of Chemistryen
dc.identifier.doihttps://doi.org/10.1016/j.molstruc.2018.09.056
dc.description.statusPeer revieweden
dc.date.embargoedUntil2019-09-28


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