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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22656703-oaFinal published version, 327 KBLicence: CC BY

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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}",

year = "2013",

month = jul,

day = "1",

doi = "10.1107/S1600536813015663",

language = "English",

volume = "E69",

pages = "o1074--o1074",

journal = "Acta Crystallographica Section E: Crystallographic Communications",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "Part 7",

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TY - JOUR

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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U2 - 10.1107/S1600536813015663

DO - 10.1107/S1600536813015663

M3 - Article

AN - SCOPUS:84879914557

VL - E69

SP - o1074-o1074

JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

SN - 1600-5368

IS - Part 7

ER -

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

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