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  • 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)
    Young, David
    Year published
    2012
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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 [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
    DOI
    https://doi.org/10.1107/S1600536812028309
    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
    Publication URI
    http://hdl.handle.net/10072/51181
    Collection
    • Journal articles

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