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Synthesis, crystal structure, and non-covalent interactions in ethyl 4-hydrazinobenzoate hydrochloride
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dc.contributor.author | Restrepo, Jelem | |
dc.contributor.author | Glidewell, Christopher | |
dc.contributor.author | Cubillán, Néstor | |
dc.contributor.author | Alvarado, Ysaias | |
dc.contributor.author | Dege, Necmi | |
dc.contributor.author | Morales-Toyo, Miguel | |
dc.date.accessioned | 2019-09-27T23:37:35Z | |
dc.date.available | 2019-09-27T23:37:35Z | |
dc.date.issued | 2018-09-28 | |
dc.identifier | 256102045 | |
dc.identifier | 79d504fc-5368-4a82-8550-04781453fd75 | |
dc.identifier | 85056160450 | |
dc.identifier | 000450377600043 | |
dc.identifier.citation | Restrepo , 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.2018.09.056 | en |
dc.identifier.issn | 0022-2860 | |
dc.identifier.other | RIS: urn:83D35339F0139C0D12D2E56013DE4B6A | |
dc.identifier.uri | https://hdl.handle.net/10023/18574 | |
dc.description | The 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.abstract | The 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.format.extent | 2168792 | |
dc.language.iso | eng | |
dc.relation.ispartof | Journal of Molecular Structure | en |
dc.subject | Synthesis | en |
dc.subject | Crystal structure | en |
dc.subject | Molecular structure | en |
dc.subject | Hydrogen bonding | en |
dc.subject | Modelling of non-covalent interactions | en |
dc.subject | QD Chemistry | en |
dc.subject | DAS | en |
dc.subject.lcc | QD | en |
dc.title | Synthesis, crystal structure, and non-covalent interactions in ethyl 4-hydrazinobenzoate hydrochloride | en |
dc.type | Journal article | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.identifier.doi | 10.1016/j.molstruc.2018.09.056 | |
dc.description.status | Peer reviewed | en |
dc.date.embargoedUntil | 2019-09-28 |
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