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Four 1-aryl-1H-pyrazole-3,4-dicarboxylate derivatives : synthesis, molecular conformation and hydrogen bonding
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dc.contributor.author | Asma, A. | |
dc.contributor.author | Kalluraya, Balakrishna | |
dc.contributor.author | Yathirajan, Hemmige S. | |
dc.contributor.author | Rathore, Ravindranath S. | |
dc.contributor.author | Glidewell, Christopher | |
dc.date.accessioned | 2019-01-08T15:30:06Z | |
dc.date.available | 2019-01-08T15:30:06Z | |
dc.date.issued | 2018-12-01 | |
dc.identifier.citation | Asma , A , Kalluraya , B , Yathirajan , H S , Rathore , R S & Glidewell , C 2018 , ' Four 1-aryl-1 H -pyrazole-3,4-dicarboxylate derivatives : synthesis, molecular conformation and hydrogen bonding ' , Acta Crystallographica Section E: Crystallographic Communications , vol. 74 , no. 12 , pp. 1783-1789 . https://doi.org/10.1107/S2056989018015864 | en |
dc.identifier.issn | 2056-9890 | |
dc.identifier.other | PURE: 257273312 | |
dc.identifier.other | PURE UUID: 0f80c8bd-710a-417c-97da-ab41fe8eea85 | |
dc.identifier.other | Scopus: 85058061263 | |
dc.identifier.other | WOS: 000452195500018 | |
dc.identifier.uri | http://hdl.handle.net/10023/16800 | |
dc.description | Asma acknowledges the UGC (India) for the award of a UGC-MANF-SRF Fellowship. HSY thanks the UGC (India) for the award of a UGC-BSR Faculty Fellowship. | en |
dc.description.abstract | Four 1-aryl-1H-pyrazole-3,4-dicarboxylate derivatives, one acid, two esters and a dicarbohydrazide have been synthesized starting from 3-aryl sydnones, and structurally characterized. There is an intramolecular O - H⋯O hydrogen bond in 1-phenyl-1H-pyrazole-3,4-dicarboxylic acid, C11H8N2O4, (I), and the molecules are linked into a three-dimensional framework structure by a combination of O - H⋯O, O - H⋯N, C - H⋯O and C - H⋯π(arene) hydrogen bonds. In each of the two esters dimethyl 1-phenyl-1H-pyrazole-3,4-dicarboxylate, C13H12N2O4, (II), and dimethyl 1-(4-methylphenyl)-1H-pyrazole-3,4-dicarboxylate, C14H14N2O4, (III), C - H⋯O hydrogen bonds lead to the formation of cyclic centrosymmetric dimers: in (III), one of the methoxycarbonyl groups is disordered over two sets of atomic sites having occupancies 0.71 (2) and 0.29 (2). An intramolecular N - H⋯O hydrogen bond is present in the structure of 1-(4-methoxyphenyl)-1H-pyrazole-3,4-dicarbohydrazide, C12H14N6O3, (IV), and the molecules are linked into a three-dimensional framework structure by a combination of N - H⋯O, N - H⋯N, N - H⋯π(arene) and C - H⋯O hydrogen bonds. Comparisons are made with the structures of a number of related compounds. | |
dc.format.extent | 7 | |
dc.language.iso | eng | |
dc.relation.ispartof | Acta Crystallographica Section E: Crystallographic Communications | en |
dc.rights | Copyright © 2018 The Authors. This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. | en |
dc.subject | 1,3-dipolar addition | en |
dc.subject | Crystal structure | en |
dc.subject | Disorder | en |
dc.subject | Hydrogen bonding | en |
dc.subject | Molecular conformation | en |
dc.subject | Supramolecular assembly | en |
dc.subject | Synthesis | en |
dc.subject | QD Chemistry | en |
dc.subject | Chemistry(all) | en |
dc.subject | Materials Science(all) | en |
dc.subject | Condensed Matter Physics | en |
dc.subject | DAS | en |
dc.subject.lcc | QD | en |
dc.title | Four 1-aryl-1H-pyrazole-3,4-dicarboxylate derivatives : synthesis, molecular conformation and hydrogen bonding | en |
dc.type | Journal article | en |
dc.description.version | Publisher PDF | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.identifier.doi | https://doi.org/10.1107/S2056989018015864 | |
dc.description.status | Peer reviewed | en |
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