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 | |
| Publication status | Published - 1 Jul 2012 |
| Externally published | Yes |
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4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile. / Chin, Yee Jan; Tan, Ai Ling; Wimmer, Franz L.; Mirza, Aminul Huq; Young, David J.; Ng, Seik Weng; Tiekink, Edward R T.
In: Acta Crystallographica Section E: Structure Reports Online, Vol. E68, No. Part 7, 01.07.2012, p. o2293-o2294.Research output: Contribution to journal › Article › Research › peer-review
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].
UR - http://www.scopus.com/inward/record.url?scp=84863583124&partnerID=8YFLogxK
U2 - 10.1107/S1600536812028309
DO - 10.1107/S1600536812028309
M3 - Article
VL - E68
SP - o2293-o2294
JO - Acta Crystallographica Section E: Crystallographic Communications
JF - Acta Crystallographica Section E: Crystallographic Communications
SN - 1600-5368
IS - Part 7
ER -