Crystal structure, DFT and MEP study of (E)-2-[(2-hy­droxy-5-meth­oxy­benzyl­idene)amino]­benzo­nitrile

The asymmetric unit of the title compound, C(15)H(12)N(2)O(2), contains two crystallographically independent mol­ecules in which the dihedral angles between the benzene rings in each are 13.26 (5) and 7.87 (5)°. An intra­molecular O—H⋯N hydrogen bonds results in the formation of an S(6) ring motif....

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Autores principales: Faizi, Md. Serajul Haque, Dege, Necmi, Çiçek, Ceren, Agar, Erbil, Fritsky, Igor O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659330/
https://www.ncbi.nlm.nih.gov/pubmed/31392010
http://dx.doi.org/10.1107/S2056989019008077
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author Faizi, Md. Serajul Haque
Dege, Necmi
Çiçek, Ceren
Agar, Erbil
Fritsky, Igor O.
author_facet Faizi, Md. Serajul Haque
Dege, Necmi
Çiçek, Ceren
Agar, Erbil
Fritsky, Igor O.
author_sort Faizi, Md. Serajul Haque
collection PubMed
description The asymmetric unit of the title compound, C(15)H(12)N(2)O(2), contains two crystallographically independent mol­ecules in which the dihedral angles between the benzene rings in each are 13.26 (5) and 7.87 (5)°. An intra­molecular O—H⋯N hydrogen bonds results in the formation of an S(6) ring motif. In the crystal, mol­ecules are linked by weak C—H⋯O and C—H⋯N hydrogen bonds, forming layers parallel to (011). In addition, π–π stacking inter­actions with centroid–centroid distances in the range 3.693 (2)–3.931 (2) Å complete the three-dimensional network.
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spelling pubmed-66593302019-08-07 Crystal structure, DFT and MEP study of (E)-2-[(2-hy­droxy-5-meth­oxy­benzyl­idene)amino]­benzo­nitrile Faizi, Md. Serajul Haque Dege, Necmi Çiçek, Ceren Agar, Erbil Fritsky, Igor O. Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, C(15)H(12)N(2)O(2), contains two crystallographically independent mol­ecules in which the dihedral angles between the benzene rings in each are 13.26 (5) and 7.87 (5)°. An intra­molecular O—H⋯N hydrogen bonds results in the formation of an S(6) ring motif. In the crystal, mol­ecules are linked by weak C—H⋯O and C—H⋯N hydrogen bonds, forming layers parallel to (011). In addition, π–π stacking inter­actions with centroid–centroid distances in the range 3.693 (2)–3.931 (2) Å complete the three-dimensional network. International Union of Crystallography 2019-06-14 /pmc/articles/PMC6659330/ /pubmed/31392010 http://dx.doi.org/10.1107/S2056989019008077 Text en © Faizi et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Faizi, Md. Serajul Haque
Dege, Necmi
Çiçek, Ceren
Agar, Erbil
Fritsky, Igor O.
Crystal structure, DFT and MEP study of (E)-2-[(2-hy­droxy-5-meth­oxy­benzyl­idene)amino]­benzo­nitrile
title Crystal structure, DFT and MEP study of (E)-2-[(2-hy­droxy-5-meth­oxy­benzyl­idene)amino]­benzo­nitrile
title_full Crystal structure, DFT and MEP study of (E)-2-[(2-hy­droxy-5-meth­oxy­benzyl­idene)amino]­benzo­nitrile
title_fullStr Crystal structure, DFT and MEP study of (E)-2-[(2-hy­droxy-5-meth­oxy­benzyl­idene)amino]­benzo­nitrile
title_full_unstemmed Crystal structure, DFT and MEP study of (E)-2-[(2-hy­droxy-5-meth­oxy­benzyl­idene)amino]­benzo­nitrile
title_short Crystal structure, DFT and MEP study of (E)-2-[(2-hy­droxy-5-meth­oxy­benzyl­idene)amino]­benzo­nitrile
title_sort crystal structure, dft and mep study of (e)-2-[(2-hy­droxy-5-meth­oxy­benzyl­idene)amino]­benzo­nitrile
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659330/
https://www.ncbi.nlm.nih.gov/pubmed/31392010
http://dx.doi.org/10.1107/S2056989019008077
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