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

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Author(s)
Chin, Yee Jan
Tan, Ai Ling
Wimmer, Franz L.
Mirza, Aminul Huq
Young, David
Ng, Seik Weng
Tiekink, Edward R. T.
Griffith University Author(s)
Year published
2012
Metadata
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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 [pi]-[pi] interactions between the benzene rings [centroid-centroid distance = 3.6978 (6) Å = length of the c axis].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 [pi]-[pi] interactions between the benzene rings [centroid-centroid distance = 3.6978 (6) Å = length of the c axis].
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Journal Title
Acta Crystallographica. Section E: Structure Reports Online
Volume
E68
Issue
7
Copyright Statement
© The Author(s) 2012. For information about this journal please refer to the journal’s website. All articles published in Acta Crystallographica Section E are open access and distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. See http://creativecommons.org/licenses/by/2.0/uk/legalcode
Subject
Organic Chemical Synthesis
Chemical Sciences