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4-(Prop-2-yn-1-yl-oxy)benzene-1,2-dicarbonitrile.

ABSTRACT: In the title compound, C(11)H(6)N(2)O, the complete mol-ecule is generated by the application of crystallographic twofold symmetry (the mol-ecule 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, supra-molecular chains along the a axis, arising from C-H?N inter-actions, are connected into stacks along the c axis by ?-? inter-actions between the benzene rings [centroid-centroid distance = 3.6978?(6)?Å = length of the c axis].

SUBMITTER: Chin YJ 

PROVIDER: S-EPMC3394070 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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4-(Prop-2-yn-1-yl-oxy)benzene-1,2-dicarbonitrile.

Chin Yee Jan YJ   Tan Ai Ling AL   Wimmer Franz L FL   Mirza Aminul Huq AH   Young David J DJ   Ng Seik Weng SW   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20120630 Pt 7

In the title compound, C(11)H(6)N(2)O, the complete mol-ecule is generated by the application of crystallographic twofold symmetry (the mol-ecule 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, supra-molecular chains along the a axis, arising from C-H⋯N inter-actions, are connected into stacks along the c axis by π-π inter-  ...[more]

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