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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...

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Autores principales: Ezhilarasi, K. S., Selvarani, Sivasamy, Rajakumar, Perumal, Revathi, B. K., Usha, G.
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
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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).
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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
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