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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...

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Autores principales: Chin, Yee Jan, Tan, Ai Ling, Wimmer, Franz L., Mirza, Aminul Huq, Young, David J., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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].
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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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