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

doi:10.1107/S1600536812028309

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 language	English
Pages (from-to)	o2293-o2294
Number of pages	2
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	E68
Issue number	Part 7
DOIs	https://doi.org/10.1107/S1600536812028309
Publication status	Published - 1 Jul 2012
Externally published	Yes

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22658540-oaFinal published version, 420 KBLicence: CC BY

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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

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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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doi = "10.1107/S1600536812028309",

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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.

AU - Mirza, Aminul Huq

AU - Young, David J.

AU - Ng, Seik Weng

AU - Tiekink, Edward R T

PY - 2012/7/1

Y1 - 2012/7/1

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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