(Z)-3-(1-Benzofuran-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile

Narsimha Reddy Penthala; Sean Parkin; Peter A. Crooks

doi:10.1107/S1600536812005831

(Z)-3-(1-Benzofuran-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile

Narsimha Reddy Penthala, Sean Parkin, Peter A. Crooks

Chemistry

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

In the title compound, C ₂₀H ₁₇NO ₄, the double bond of the acrylonitrile group separating the 1-benzofuran moiety from the 3,4,5-trimeth-oxy-phenyl ring has Z geometry. The 1-benzofuran groups are π-π stacked with inversion-related counterparts such that the furan ring centroid-centroid distance is 3.804 (5) Å. The dihedral angle between the planes of the trimethoxyphenyl ring and the acrylonitrile group is 24.2 (2)°.

Original language	English
Pages (from-to)	o731
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	3
DOIs	https://doi.org/10.1107/S1600536812005831
State	Published - Mar 2012

Keywords

R factor = 0.064
T = 90 K
data-to-parameter ratio = 16.6.
mean σ(C-C) = 0.004 Å
single-crystal X-ray study
wR factor = 0.186

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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title = "(Z)-3-(1-Benzofuran-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile",

abstract = "In the title compound, C 20H 17NO 4, the double bond of the acrylonitrile group separating the 1-benzofuran moiety from the 3,4,5-trimeth-oxy-phenyl ring has Z geometry. The 1-benzofuran groups are π-π stacked with inversion-related counterparts such that the furan ring centroid-centroid distance is 3.804 (5) {\AA}. The dihedral angle between the planes of the trimethoxyphenyl ring and the acrylonitrile group is 24.2 (2)°.",

keywords = "R factor = 0.064, T = 90 K, data-to-parameter ratio = 16.6., mean σ(C-C) = 0.004 {\AA}, single-crystal X-ray study, wR factor = 0.186",

author = "Penthala, {Narsimha Reddy} and Sean Parkin and Crooks, {Peter A.}",

year = "2012",

month = mar,

doi = "10.1107/S1600536812005831",

language = "English",

volume = "68",

pages = "o731",

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TY - JOUR

T1 - (Z)-3-(1-Benzofuran-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile

AU - Penthala, Narsimha Reddy

AU - Parkin, Sean

AU - Crooks, Peter A.

PY - 2012/3

Y1 - 2012/3

N2 - In the title compound, C 20H 17NO 4, the double bond of the acrylonitrile group separating the 1-benzofuran moiety from the 3,4,5-trimeth-oxy-phenyl ring has Z geometry. The 1-benzofuran groups are π-π stacked with inversion-related counterparts such that the furan ring centroid-centroid distance is 3.804 (5) Å. The dihedral angle between the planes of the trimethoxyphenyl ring and the acrylonitrile group is 24.2 (2)°.

AB - In the title compound, C 20H 17NO 4, the double bond of the acrylonitrile group separating the 1-benzofuran moiety from the 3,4,5-trimeth-oxy-phenyl ring has Z geometry. The 1-benzofuran groups are π-π stacked with inversion-related counterparts such that the furan ring centroid-centroid distance is 3.804 (5) Å. The dihedral angle between the planes of the trimethoxyphenyl ring and the acrylonitrile group is 24.2 (2)°.

KW - R factor = 0.064

KW - T = 90 K

KW - data-to-parameter ratio = 16.6.

KW - mean σ(C-C) = 0.004 Å

KW - single-crystal X-ray study

KW - wR factor = 0.186

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UR - http://www.scopus.com/inward/citedby.url?scp=84857989466&partnerID=8YFLogxK

U2 - 10.1107/S1600536812005831

DO - 10.1107/S1600536812005831

M3 - Article

C2 - 22412613

AN - SCOPUS:84857989466

SN - 1600-5368

VL - 68

SP - o731

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 3

ER -

(Z)-3-(1-Benzofuran-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile

Abstract

Keywords

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