Cargando…
Crystal structure of bis(prop-2-yn-1-yl) 5-nitroisophthalate
The whole molecule of the title compound, C(14)H(9)NO(6), is generated by twofold rotation symmetry; the twofold axis bisects the nitro group and the benzene ring. The nitro group is inclined to the benzene ring by 14.42 (9)°. The prop-2-yn-1-yl groups are inclined to the benzene ring by 13 (2)° a...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459362/ https://www.ncbi.nlm.nih.gov/pubmed/26090213 http://dx.doi.org/10.1107/S2056989015009846 |
_version_ | 1782375212841435136 |
---|---|
author | Ezhilarasi, K. S. Selvarani, Sivasamy Rajakumar, Perumal Revathi, B. K. Usha, G. |
author_facet | Ezhilarasi, K. S. Selvarani, Sivasamy Rajakumar, Perumal Revathi, B. K. Usha, G. |
author_sort | Ezhilarasi, K. S. |
collection | PubMed |
description | The whole molecule of the title compound, C(14)H(9)NO(6), is generated by twofold rotation symmetry; the twofold axis bisects the nitro group and the benzene ring. The nitro group is inclined to the benzene ring by 14.42 (9)°. The prop-2-yn-1-yl groups are inclined to the benzene ring by 13 (2)° and to each other by 24 (3)°; one directed above the plane of the benzene ring and the other below. In the crystal, molecules are linked via pairs of C—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(18) ring motif. The dimers are linked by further C—H⋯O hydrogen bonds, forming sheets lying parallel to (100). |
format | Online Article Text |
id | pubmed-4459362 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44593622015-06-18 Crystal structure of bis(prop-2-yn-1-yl) 5-nitroisophthalate Ezhilarasi, K. S. Selvarani, Sivasamy Rajakumar, Perumal Revathi, B. K. Usha, G. Acta Crystallogr E Crystallogr Commun Data Reports The whole molecule of the title compound, C(14)H(9)NO(6), is generated by twofold rotation symmetry; the twofold axis bisects the nitro group and the benzene ring. The nitro group is inclined to the benzene ring by 14.42 (9)°. The prop-2-yn-1-yl groups are inclined to the benzene ring by 13 (2)° and to each other by 24 (3)°; one directed above the plane of the benzene ring and the other below. In the crystal, molecules are linked via pairs of C—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(18) ring motif. The dimers are linked by further C—H⋯O hydrogen bonds, forming sheets lying parallel to (100). International Union of Crystallography 2015-05-30 /pmc/articles/PMC4459362/ /pubmed/26090213 http://dx.doi.org/10.1107/S2056989015009846 Text en © Ezhilarasi et al. 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 | Data Reports Ezhilarasi, K. S. Selvarani, Sivasamy Rajakumar, Perumal Revathi, B. K. Usha, G. Crystal structure of bis(prop-2-yn-1-yl) 5-nitroisophthalate |
title | Crystal structure of bis(prop-2-yn-1-yl) 5-nitroisophthalate |
title_full | Crystal structure of bis(prop-2-yn-1-yl) 5-nitroisophthalate |
title_fullStr | Crystal structure of bis(prop-2-yn-1-yl) 5-nitroisophthalate |
title_full_unstemmed | Crystal structure of bis(prop-2-yn-1-yl) 5-nitroisophthalate |
title_short | Crystal structure of bis(prop-2-yn-1-yl) 5-nitroisophthalate |
title_sort | crystal structure of bis(prop-2-yn-1-yl) 5-nitroisophthalate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459362/ https://www.ncbi.nlm.nih.gov/pubmed/26090213 http://dx.doi.org/10.1107/S2056989015009846 |
work_keys_str_mv | AT ezhilarasiks crystalstructureofbisprop2yn1yl5nitroisophthalate AT selvaranisivasamy crystalstructureofbisprop2yn1yl5nitroisophthalate AT rajakumarperumal crystalstructureofbisprop2yn1yl5nitroisophthalate AT revathibk crystalstructureofbisprop2yn1yl5nitroisophthalate AT ushag crystalstructureofbisprop2yn1yl5nitroisophthalate |