3-(Prop-2-yn-1-yl­oxy)phthalo­nitrile

In the title compound, C(11)H(6)N(2)O {systematic name: 3-(prop-2-yn-1-yl­oxy)benzene-1,2-dicarbo­nitrile}, the 14 non-H atoms are approximately coplanar (r.m.s. deviation = 0.051 Å) with the terminal ethyne group being syn with the adjacent cyano residue. In the crystal, centrosymmetric dimers are...

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Autores principales: Jan, Chin Yee, Shamsudin, Norzianah Binti Haji, Tan, Ai Ling, Young, David J., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770356/
https://www.ncbi.nlm.nih.gov/pubmed/24046641
http://dx.doi.org/10.1107/S1600536813015663
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author Jan, Chin Yee
Shamsudin, Norzianah Binti Haji
Tan, Ai Ling
Young, David J.
Tiekink, Edward R. T.
author_facet Jan, Chin Yee
Shamsudin, Norzianah Binti Haji
Tan, Ai Ling
Young, David J.
Tiekink, Edward R. T.
author_sort Jan, Chin Yee
collection PubMed
description In the title compound, C(11)H(6)N(2)O {systematic name: 3-(prop-2-yn-1-yl­oxy)benzene-1,2-dicarbo­nitrile}, the 14 non-H atoms are approximately coplanar (r.m.s. deviation = 0.051 Å) with the terminal ethyne group being syn with the adjacent cyano residue. In the crystal, centrosymmetric dimers are connected by pairs of C—H⋯N inter­actions and these are linked into a supra­molecular tape parallel to (1-30) via C—H⋯N inter­actions involving the same N atom as acceptor.
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spelling pubmed-37703562013-09-17 3-(Prop-2-yn-1-yl­oxy)phthalo­nitrile Jan, Chin Yee Shamsudin, Norzianah Binti Haji Tan, Ai Ling Young, David J. Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(6)N(2)O {systematic name: 3-(prop-2-yn-1-yl­oxy)benzene-1,2-dicarbo­nitrile}, the 14 non-H atoms are approximately coplanar (r.m.s. deviation = 0.051 Å) with the terminal ethyne group being syn with the adjacent cyano residue. In the crystal, centrosymmetric dimers are connected by pairs of C—H⋯N inter­actions and these are linked into a supra­molecular tape parallel to (1-30) via C—H⋯N inter­actions involving the same N atom as acceptor. International Union of Crystallography 2013-06-12 /pmc/articles/PMC3770356/ /pubmed/24046641 http://dx.doi.org/10.1107/S1600536813015663 Text en © Jan et al. 2013 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
Jan, Chin Yee
Shamsudin, Norzianah Binti Haji
Tan, Ai Ling
Young, David J.
Tiekink, Edward R. T.
3-(Prop-2-yn-1-yl­oxy)phthalo­nitrile
title 3-(Prop-2-yn-1-yl­oxy)phthalo­nitrile
title_full 3-(Prop-2-yn-1-yl­oxy)phthalo­nitrile
title_fullStr 3-(Prop-2-yn-1-yl­oxy)phthalo­nitrile
title_full_unstemmed 3-(Prop-2-yn-1-yl­oxy)phthalo­nitrile
title_short 3-(Prop-2-yn-1-yl­oxy)phthalo­nitrile
title_sort 3-(prop-2-yn-1-yl­oxy)phthalo­nitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770356/
https://www.ncbi.nlm.nih.gov/pubmed/24046641
http://dx.doi.org/10.1107/S1600536813015663
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AT tanailing 3prop2yn1yloxyphthalonitrile
AT youngdavidj 3prop2yn1yloxyphthalonitrile
AT tiekinkedwardrt 3prop2yn1yloxyphthalonitrile

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