4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile

Yee Jan Chin, Ai Ling Tan, Franz L. Wimmer, Aminul Huq Mirza, David J. Young, Seik Weng Ng, Edward R T Tiekink

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Abstract

In the title compound, C11H6N2O, 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].

Original languageEnglish
Pages (from-to)o2293-o2294
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
VolumeE68
Issue numberPart 7
DOIs
Publication statusPublished - 1 Jul 2012
Externally publishedYes

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Benzene
benzene
Nitriles
Molecules
Torsional stress
centroids
Crystals
rings
nitriles
torsion
molecules
interactions
symmetry
crystals

Cite this

Chin, Y. J., Tan, A. L., Wimmer, F. L., Mirza, A. H., Young, D. J., Ng, S. W., & Tiekink, E. R. T. (2012). 4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile. Acta Crystallographica Section E: Structure Reports Online, E68(Part 7), o2293-o2294. https://doi.org/10.1107/S1600536812028309
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. In: Acta Crystallographica Section E: Structure Reports Online. 2012 ; Vol. E68, No. Part 7. pp. o2293-o2294.
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title = "4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile",
abstract = "In the title compound, C11H6N2O, 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) {\AA} = length of the c axis].",
author = "Chin, {Yee Jan} and Tan, {Ai Ling} and Wimmer, {Franz L.} and Mirza, {Aminul Huq} and Young, {David J.} and Ng, {Seik Weng} and Tiekink, {Edward R T}",
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Chin, YJ, Tan, AL, Wimmer, FL, Mirza, AH, Young, DJ, Ng, SW & Tiekink, ERT 2012, '4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile', Acta Crystallographica Section E: Structure Reports Online, vol. E68, no. Part 7, pp. o2293-o2294. https://doi.org/10.1107/S1600536812028309

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.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. E68, No. Part 7, 01.07.2012, p. o2293-o2294.

Research output: Contribution to journalArticleResearchpeer-review

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T1 - 4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile

AU - Chin, Yee Jan

AU - Tan, Ai Ling

AU - Wimmer, Franz L.

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AU - Young, David J.

AU - Ng, Seik Weng

AU - Tiekink, Edward R T

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N2 - In the title compound, C11H6N2O, 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].

AB - In the title compound, C11H6N2O, 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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