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4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile
In the title compound, C(11)H(6)N(2)O, the complete molecule is generated by the application of crystallographic twofold symmetry (the molecule is disordered about this axis). The prop-2-yn-1-yl residue is slightly twisted out of the plane of the benzene ring [C—O—C—C torsion angle = 173.1 (3)°] a...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394070/ https://www.ncbi.nlm.nih.gov/pubmed/22798935 http://dx.doi.org/10.1107/S1600536812028309 |
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author | Chin, Yee Jan Tan, Ai Ling Wimmer, Franz L. Mirza, Aminul Huq Young, David J. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | Chin, Yee Jan Tan, Ai Ling Wimmer, Franz L. Mirza, Aminul Huq Young, David J. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | Chin, Yee Jan |
collection | PubMed |
description | In the title compound, C(11)H(6)N(2)O, the complete molecule is generated by the application of crystallographic twofold symmetry (the molecule is disordered about this axis). The prop-2-yn-1-yl residue is slightly twisted out of the plane of the benzene ring [C—O—C—C torsion angle = 173.1 (3)°] and is orientated away from the nitrile substituents. In the crystal, supramolecular chains along the a axis, arising from C—H⋯N interactions, are connected into stacks along the c axis by π–π interactions between the benzene rings [centroid–centroid distance = 3.6978 (6) Å = length of the c axis]. |
format | Online Article Text |
id | pubmed-3394070 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33940702012-07-13 4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile Chin, Yee Jan Tan, Ai Ling Wimmer, Franz L. Mirza, Aminul Huq Young, David J. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(6)N(2)O, the complete molecule is generated by the application of crystallographic twofold symmetry (the molecule is disordered about this axis). The prop-2-yn-1-yl residue is slightly twisted out of the plane of the benzene ring [C—O—C—C torsion angle = 173.1 (3)°] and is orientated away from the nitrile substituents. In the crystal, supramolecular chains along the a axis, arising from C—H⋯N interactions, are connected into stacks along the c axis by π–π interactions between the benzene rings [centroid–centroid distance = 3.6978 (6) Å = length of the c axis]. International Union of Crystallography 2012-06-30 /pmc/articles/PMC3394070/ /pubmed/22798935 http://dx.doi.org/10.1107/S1600536812028309 Text en © Chin et al. 2012 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 | Organic Papers Chin, Yee Jan Tan, Ai Ling Wimmer, Franz L. Mirza, Aminul Huq Young, David J. Ng, Seik Weng Tiekink, Edward R. T. 4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile |
title | 4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile |
title_full | 4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile |
title_fullStr | 4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile |
title_full_unstemmed | 4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile |
title_short | 4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile |
title_sort | 4-(prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394070/ https://www.ncbi.nlm.nih.gov/pubmed/22798935 http://dx.doi.org/10.1107/S1600536812028309 |
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