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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@article{7b79a91cb81846dba0106de66fbaacdd,

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}",

year = "2012",

month = jul,

day = "1",

doi = "10.1107/S1600536812028309",

language = "English",

volume = "E68",

pages = "o2293--o2294",

journal = "Acta Crystallographica Section E: Crystallographic Communications",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "Part 7",

}

TY - JOUR

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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DO - 10.1107/S1600536812028309

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