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Crystal structure of 1,10-phenanthrolinium 3-hydroxy-2,4,6-trinitrophenolate
In the title molecular salt, C(12)H(9)N(2) (+)·C(6)H(2)N(3)O(8) (−), the cation and anion are connected by an N—H⋯O hydrogen bond. In the anion, an intramolecular O—H⋯O hydrogen bond with an S(6) ring motif is observed. The planes of two of the nitro groups are approximately parallel to the plane o...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518991/ https://www.ncbi.nlm.nih.gov/pubmed/26279867 http://dx.doi.org/10.1107/S2056989015010737 |
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author | Muthulakshmi, Selvarasu Kalaivani, Doraisamyraja |
author_facet | Muthulakshmi, Selvarasu Kalaivani, Doraisamyraja |
author_sort | Muthulakshmi, Selvarasu |
collection | PubMed |
description | In the title molecular salt, C(12)H(9)N(2) (+)·C(6)H(2)N(3)O(8) (−), the cation and anion are connected by an N—H⋯O hydrogen bond. In the anion, an intramolecular O—H⋯O hydrogen bond with an S(6) ring motif is observed. The planes of two of the nitro groups are approximately parallel to the plane of the benzene ring, making dihedral angles of 3.9 (2) and 15.3 (2)°, while the third nitro group is almost perpendicular to the benzene ring, with a dihedral angle of 78.6 (3)°. In the crystal, cation–anion pairs related by an n-glide plane are connected by C—H⋯O hydrogen bonds, forming a chain structure along [101]. Sensitivity tests and thermal testing indicate that the title salt is an insensitive high-energy-density material (IHEDM). |
format | Online Article Text |
id | pubmed-4518991 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45189912015-08-14 Crystal structure of 1,10-phenanthrolinium 3-hydroxy-2,4,6-trinitrophenolate Muthulakshmi, Selvarasu Kalaivani, Doraisamyraja Acta Crystallogr E Crystallogr Commun Research Communications In the title molecular salt, C(12)H(9)N(2) (+)·C(6)H(2)N(3)O(8) (−), the cation and anion are connected by an N—H⋯O hydrogen bond. In the anion, an intramolecular O—H⋯O hydrogen bond with an S(6) ring motif is observed. The planes of two of the nitro groups are approximately parallel to the plane of the benzene ring, making dihedral angles of 3.9 (2) and 15.3 (2)°, while the third nitro group is almost perpendicular to the benzene ring, with a dihedral angle of 78.6 (3)°. In the crystal, cation–anion pairs related by an n-glide plane are connected by C—H⋯O hydrogen bonds, forming a chain structure along [101]. Sensitivity tests and thermal testing indicate that the title salt is an insensitive high-energy-density material (IHEDM). International Union of Crystallography 2015-06-13 /pmc/articles/PMC4518991/ /pubmed/26279867 http://dx.doi.org/10.1107/S2056989015010737 Text en © Muthulakshmi and Kalaivani 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Muthulakshmi, Selvarasu Kalaivani, Doraisamyraja Crystal structure of 1,10-phenanthrolinium 3-hydroxy-2,4,6-trinitrophenolate |
title | Crystal structure of 1,10-phenanthrolinium 3-hydroxy-2,4,6-trinitrophenolate |
title_full | Crystal structure of 1,10-phenanthrolinium 3-hydroxy-2,4,6-trinitrophenolate |
title_fullStr | Crystal structure of 1,10-phenanthrolinium 3-hydroxy-2,4,6-trinitrophenolate |
title_full_unstemmed | Crystal structure of 1,10-phenanthrolinium 3-hydroxy-2,4,6-trinitrophenolate |
title_short | Crystal structure of 1,10-phenanthrolinium 3-hydroxy-2,4,6-trinitrophenolate |
title_sort | crystal structure of 1,10-phenanthrolinium 3-hydroxy-2,4,6-trinitrophenolate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518991/ https://www.ncbi.nlm.nih.gov/pubmed/26279867 http://dx.doi.org/10.1107/S2056989015010737 |
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