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Two 3-amino-1H-pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1H-pyrazol-2-ium nitrate
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dc.contributor.author | Archana, Sreeramapura D. | |
dc.contributor.author | Kavitha, Channappa N. | |
dc.contributor.author | Yathirajan, Hemmige S. | |
dc.contributor.author | Foro, Sabine | |
dc.contributor.author | Glidewell, Christopher | |
dc.date.accessioned | 2021-02-01T09:30:01Z | |
dc.date.available | 2021-02-01T09:30:01Z | |
dc.date.issued | 2021-01-01 | |
dc.identifier.citation | Archana , S D , Kavitha , C N , Yathirajan , H S , Foro , S & Glidewell , C 2021 , ' Two 3-amino-1 H -pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1H-pyrazol-2-ium nitrate ' , Acta Crystallographica Section E Crystallographic Communications , vol. 77 , no. 1 , pp. 34-41 . https://doi.org/10.1107/S2056989020015959 | en |
dc.identifier.issn | 2056-9890 | |
dc.identifier.other | PURE: 272523448 | |
dc.identifier.other | PURE UUID: c9e60755-0345-456b-90f8-a2a3a448ff99 | |
dc.identifier.other | Bibtex: ISI:000605200200007 | |
dc.identifier.other | Scopus: 85099060921 | |
dc.identifier.other | WOS: 000605200200007 | |
dc.identifier.uri | https://hdl.handle.net/10023/21350 | |
dc.description | HSY thanks the University Grants Commission, New Delhi for the award of a BSR Faculty Fellowship for three years. | en |
dc.description.abstract | Co-crystallization from methanol of 3-amino-1H-pyrazole with 3,5-dinitro-benzoic acid produces 3-amino-1H-pyrazol-2-ium 3,5-dinitrobenzoate mono-hydrate, C3H6N3+.C7H3N2O6-center dot H2O, (I), while similar co-crystallization of this pyrazole with an equimolar quantity of fumaric acid produces bis(3-amino-1H-pyrazol- 2-ium) fumarate-fumaric acid (1/1), 2C(3)H(6)N(3)(+)center dot C4H2O42-center dot C4H4O4, (II). The reaction of 3-amino-1H-pyrazole with a dilute solution of nitric acid in methanol yields a second, orthorhombic polymorph of 3-amino-1H-pyrazol-2-ium nitrate, C3H6N3+center dot NO3-, (III). In each of (I)-(III), the bond distances in the cation provide evidence for extensive delocalization of the positive charge. In each of (I) and (II), an extensive series of O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds links the components into complex sheets, while in the structure of (III), the ions are linked by multiple N-H center dot center dot center dot O hydrogen bonds into a threedimensional arrangement. Comparisons are made with the structures of some related compounds. | |
dc.format.extent | 18 | |
dc.language.iso | eng | |
dc.relation.ispartof | Acta Crystallographica Section E Crystallographic Communications | en |
dc.rights | Copyright © 2020 The Author(s). 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 | Pyrazoles | en |
dc.subject | Organic salts | en |
dc.subject | Crystal structures | en |
dc.subject | Polymorphism | en |
dc.subject | Hydrogen bonding | en |
dc.subject | Supramolecular assembly | en |
dc.subject | QD Chemistry | en |
dc.subject | DAS | en |
dc.subject.lcc | QD | en |
dc.title | Two 3-amino-1H-pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1H-pyrazol-2-ium nitrate | 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/S2056989020015959 | |
dc.description.status | Peer reviewed | en |
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