3-(Prop-2-yn-1-yloxy)phthalonitrile

Chin Yee Jan; Norzianah Binti Haji Shamsudin; Ai Ling Tan; David J. Young; Edward R T Tiekink

doi:10.1107/S1600536813015663

3-(Prop-2-yn-1-yloxy)phthalonitrile

Chin Yee Jan, Norzianah Binti Haji Shamsudin, Ai Ling Tan, David J. Young, Edward R T Tiekink

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Abstract

In the title compound, C₁₁H₆N₂O {systematic name: 3-(prop-2-yn-1-yloxy) benzene-1,2-dicarbonitrile}, the 14 non-H atoms are approximately coplanar (r.m.s. deviation = 0.051 Å) with the terminal ethyne group being syn with the adjacent cyano residue. In the crystal, centrosymmetric dimers are connected by pairs of C-H...N interactions and these are linked into a supramolecular tape parallel to (1-30) via C-H...N interactions involving the same N atom as acceptor.

Original language	English
Pages (from-to)	o1074-o1074
Number of pages	1
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	E69
Issue number	Part 7
DOIs	https://doi.org/10.1107/S1600536813015663
Publication status	Published - 1 Jul 2013
Externally published	Yes

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10.1107/S1600536813015663Licence: CC BY

22656703-oaFinal published version, 327 KBLicence: CC BY

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Jan, C. Y., Shamsudin, N. B. H., Tan, A. L., Young, D. J., & Tiekink, E. R. T. (2013). 3-(Prop-2-yn-1-yloxy)phthalonitrile. Acta Crystallographica Section E: Structure Reports Online, E69(Part 7), o1074-o1074. https://doi.org/10.1107/S1600536813015663

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title = "3-(Prop-2-yn-1-yloxy)phthalonitrile",

abstract = "In the title compound, C11H6N2O {systematic name: 3-(prop-2-yn-1-yloxy) benzene-1,2-dicarbonitrile}, the 14 non-H atoms are approximately coplanar (r.m.s. deviation = 0.051 {\AA}) with the terminal ethyne group being syn with the adjacent cyano residue. In the crystal, centrosymmetric dimers are connected by pairs of C-H...N interactions and these are linked into a supramolecular tape parallel to (1-30) via C-H...N interactions involving the same N atom as acceptor.",

author = "Jan, {Chin Yee} and Shamsudin, {Norzianah Binti Haji} and Tan, {Ai Ling} and Young, {David J.} and Tiekink, {Edward R T}",

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doi = "10.1107/S1600536813015663",

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T1 - 3-(Prop-2-yn-1-yloxy)phthalonitrile

AU - Jan, Chin Yee

AU - Shamsudin, Norzianah Binti Haji

AU - Tan, Ai Ling

AU - Young, David J.

AU - Tiekink, Edward R T

PY - 2013/7/1

Y1 - 2013/7/1

N2 - In the title compound, C11H6N2O {systematic name: 3-(prop-2-yn-1-yloxy) benzene-1,2-dicarbonitrile}, the 14 non-H atoms are approximately coplanar (r.m.s. deviation = 0.051 Å) with the terminal ethyne group being syn with the adjacent cyano residue. In the crystal, centrosymmetric dimers are connected by pairs of C-H...N interactions and these are linked into a supramolecular tape parallel to (1-30) via C-H...N interactions involving the same N atom as acceptor.

AB - In the title compound, C11H6N2O {systematic name: 3-(prop-2-yn-1-yloxy) benzene-1,2-dicarbonitrile}, the 14 non-H atoms are approximately coplanar (r.m.s. deviation = 0.051 Å) with the terminal ethyne group being syn with the adjacent cyano residue. In the crystal, centrosymmetric dimers are connected by pairs of C-H...N interactions and these are linked into a supramolecular tape parallel to (1-30) via C-H...N interactions involving the same N atom as acceptor.

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JO - Acta Crystallographica Section E: Crystallographic Communications

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