Crystal structure of 2-[2-(benz­yloxy)benzyl­idene]malono­nitrile

In the title benzyl­idenemalono­nitrile derivative, C(17)H(12)N(2)O, the dihedral angles between the central benzene ring and the Y-shaped C=C(CN)(2) group (r.m.s. deviation = 0.006 Å) and the terminal benzene ring are 12.72 (8) and 37.60 (11)°, respectively. The C(ar)—O—Csp (3)—C(ar) torsion angle...

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Autores principales: Yousuf, Sammer, Bano, Huma, Muhammad, Munira Taj, Khan, Khalid Mohammed
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571396/
https://www.ncbi.nlm.nih.gov/pubmed/26396796
http://dx.doi.org/10.1107/S2056989015012608
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author Yousuf, Sammer
Bano, Huma
Muhammad, Munira Taj
Khan, Khalid Mohammed
author_facet Yousuf, Sammer
Bano, Huma
Muhammad, Munira Taj
Khan, Khalid Mohammed
author_sort Yousuf, Sammer
collection PubMed
description In the title benzyl­idenemalono­nitrile derivative, C(17)H(12)N(2)O, the dihedral angles between the central benzene ring and the Y-shaped C=C(CN)(2) group (r.m.s. deviation = 0.006 Å) and the terminal benzene ring are 12.72 (8) and 37.60 (11)°, respectively. The C(ar)—O—Csp (3)—C(ar) torsion angle is −174.52 (13)° and the major twist between the aromatic rings occurs about the Csp (3)—C(ar) bond. Weak aromatic π–π stacking [centroid–centroid separation = 3.7784 (13) Å; slippage = 1.21 Å] between inversion-related pairs of the central benzene rings is observed in the crystal.
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spelling pubmed-45713962015-09-22 Crystal structure of 2-[2-(benz­yloxy)benzyl­idene]malono­nitrile Yousuf, Sammer Bano, Huma Muhammad, Munira Taj Khan, Khalid Mohammed Acta Crystallogr E Crystallogr Commun Data Reports In the title benzyl­idenemalono­nitrile derivative, C(17)H(12)N(2)O, the dihedral angles between the central benzene ring and the Y-shaped C=C(CN)(2) group (r.m.s. deviation = 0.006 Å) and the terminal benzene ring are 12.72 (8) and 37.60 (11)°, respectively. The C(ar)—O—Csp (3)—C(ar) torsion angle is −174.52 (13)° and the major twist between the aromatic rings occurs about the Csp (3)—C(ar) bond. Weak aromatic π–π stacking [centroid–centroid separation = 3.7784 (13) Å; slippage = 1.21 Å] between inversion-related pairs of the central benzene rings is observed in the crystal. International Union of Crystallography 2015-07-08 /pmc/articles/PMC4571396/ /pubmed/26396796 http://dx.doi.org/10.1107/S2056989015012608 Text en © Yousuf et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Yousuf, Sammer
Bano, Huma
Muhammad, Munira Taj
Khan, Khalid Mohammed
Crystal structure of 2-[2-(benz­yloxy)benzyl­idene]malono­nitrile
title Crystal structure of 2-[2-(benz­yloxy)benzyl­idene]malono­nitrile
title_full Crystal structure of 2-[2-(benz­yloxy)benzyl­idene]malono­nitrile
title_fullStr Crystal structure of 2-[2-(benz­yloxy)benzyl­idene]malono­nitrile
title_full_unstemmed Crystal structure of 2-[2-(benz­yloxy)benzyl­idene]malono­nitrile
title_short Crystal structure of 2-[2-(benz­yloxy)benzyl­idene]malono­nitrile
title_sort crystal structure of 2-[2-(benz­yloxy)benzyl­idene]malono­nitrile
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571396/
https://www.ncbi.nlm.nih.gov/pubmed/26396796
http://dx.doi.org/10.1107/S2056989015012608
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