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(Z)-3-Diethyl­amino-6-({2-[(E)-4-(diethyl­amino)-2-hy­droxy­benzyl­idene­amino]-4,5-dimethyl­phen­yl}amino­methyl­idene)cyclo­hexa-2,4-dienone–5,5′-bis­(diethyl­amino)-2,2′-[4,5-dimethyl-o-phenyl­enebis(nitrilo­methyl­idyne)]diphenol

The asymmetric unit of the title Schiff base compound, C(30)H(38)N(4)O(2), comprises two crystallographically independent mol­ecules, A and B. The structure is non-merohedrally twinned with a refined BASF ratio of 0.219 (6):0.701 (6). Mol­ecule B shows both phenol–imine and keto–amine tautomeric for...

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Detalles Bibliográficos
Autores principales: Kargar, Hadi, Kia, Reza, Tahir, Muhammad Nawaz
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011455/
https://www.ncbi.nlm.nih.gov/pubmed/21589416
http://dx.doi.org/10.1107/S1600536810045290
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author Kargar, Hadi
Kia, Reza
Tahir, Muhammad Nawaz
author_facet Kargar, Hadi
Kia, Reza
Tahir, Muhammad Nawaz
author_sort Kargar, Hadi
collection PubMed
description The asymmetric unit of the title Schiff base compound, C(30)H(38)N(4)O(2), comprises two crystallographically independent mol­ecules, A and B. The structure is non-merohedrally twinned with a refined BASF ratio of 0.219 (6):0.701 (6). Mol­ecule B shows both phenol–imine and keto–amine tautomeric forms in a single structure. The dihedral angles between the central ring and the two outer rings are 5.9 (3) and 48.4 (3)° in mol­ecule A, and 48.3 (3) and 6.9 (3)° in mol­ecule B. Strong intra­molecular O—H⋯N and N—H⋯O hydrogen bonds generate S(6) ring motifs. The crystal structure is further stabilized by inter­molecular C—H⋯O, C—H⋯π and π–π inter­actions [centroid–centroid distances = 3.870 (4)–3.871 (4) Å].
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spelling pubmed-30114552010-12-30 (Z)-3-Diethyl­amino-6-({2-[(E)-4-(diethyl­amino)-2-hy­droxy­benzyl­idene­amino]-4,5-dimethyl­phen­yl}amino­methyl­idene)cyclo­hexa-2,4-dienone–5,5′-bis­(diethyl­amino)-2,2′-[4,5-dimethyl-o-phenyl­enebis(nitrilo­methyl­idyne)]diphenol Kargar, Hadi Kia, Reza Tahir, Muhammad Nawaz Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title Schiff base compound, C(30)H(38)N(4)O(2), comprises two crystallographically independent mol­ecules, A and B. The structure is non-merohedrally twinned with a refined BASF ratio of 0.219 (6):0.701 (6). Mol­ecule B shows both phenol–imine and keto–amine tautomeric forms in a single structure. The dihedral angles between the central ring and the two outer rings are 5.9 (3) and 48.4 (3)° in mol­ecule A, and 48.3 (3) and 6.9 (3)° in mol­ecule B. Strong intra­molecular O—H⋯N and N—H⋯O hydrogen bonds generate S(6) ring motifs. The crystal structure is further stabilized by inter­molecular C—H⋯O, C—H⋯π and π–π inter­actions [centroid–centroid distances = 3.870 (4)–3.871 (4) Å]. International Union of Crystallography 2010-11-10 /pmc/articles/PMC3011455/ /pubmed/21589416 http://dx.doi.org/10.1107/S1600536810045290 Text en © Kargar et al. 2010 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 Organic Papers
Kargar, Hadi
Kia, Reza
Tahir, Muhammad Nawaz
(Z)-3-Diethyl­amino-6-({2-[(E)-4-(diethyl­amino)-2-hy­droxy­benzyl­idene­amino]-4,5-dimethyl­phen­yl}amino­methyl­idene)cyclo­hexa-2,4-dienone–5,5′-bis­(diethyl­amino)-2,2′-[4,5-dimethyl-o-phenyl­enebis(nitrilo­methyl­idyne)]diphenol
title (Z)-3-Diethyl­amino-6-({2-[(E)-4-(diethyl­amino)-2-hy­droxy­benzyl­idene­amino]-4,5-dimethyl­phen­yl}amino­methyl­idene)cyclo­hexa-2,4-dienone–5,5′-bis­(diethyl­amino)-2,2′-[4,5-dimethyl-o-phenyl­enebis(nitrilo­methyl­idyne)]diphenol
title_full (Z)-3-Diethyl­amino-6-({2-[(E)-4-(diethyl­amino)-2-hy­droxy­benzyl­idene­amino]-4,5-dimethyl­phen­yl}amino­methyl­idene)cyclo­hexa-2,4-dienone–5,5′-bis­(diethyl­amino)-2,2′-[4,5-dimethyl-o-phenyl­enebis(nitrilo­methyl­idyne)]diphenol
title_fullStr (Z)-3-Diethyl­amino-6-({2-[(E)-4-(diethyl­amino)-2-hy­droxy­benzyl­idene­amino]-4,5-dimethyl­phen­yl}amino­methyl­idene)cyclo­hexa-2,4-dienone–5,5′-bis­(diethyl­amino)-2,2′-[4,5-dimethyl-o-phenyl­enebis(nitrilo­methyl­idyne)]diphenol
title_full_unstemmed (Z)-3-Diethyl­amino-6-({2-[(E)-4-(diethyl­amino)-2-hy­droxy­benzyl­idene­amino]-4,5-dimethyl­phen­yl}amino­methyl­idene)cyclo­hexa-2,4-dienone–5,5′-bis­(diethyl­amino)-2,2′-[4,5-dimethyl-o-phenyl­enebis(nitrilo­methyl­idyne)]diphenol
title_short (Z)-3-Diethyl­amino-6-({2-[(E)-4-(diethyl­amino)-2-hy­droxy­benzyl­idene­amino]-4,5-dimethyl­phen­yl}amino­methyl­idene)cyclo­hexa-2,4-dienone–5,5′-bis­(diethyl­amino)-2,2′-[4,5-dimethyl-o-phenyl­enebis(nitrilo­methyl­idyne)]diphenol
title_sort (z)-3-diethyl­amino-6-({2-[(e)-4-(diethyl­amino)-2-hy­droxy­benzyl­idene­amino]-4,5-dimethyl­phen­yl}amino­methyl­idene)cyclo­hexa-2,4-dienone–5,5′-bis­(diethyl­amino)-2,2′-[4,5-dimethyl-o-phenyl­enebis(nitrilo­methyl­idyne)]diphenol
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011455/
https://www.ncbi.nlm.nih.gov/pubmed/21589416
http://dx.doi.org/10.1107/S1600536810045290
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AT kiareza z3diethylamino62e4diethylamino2hydroxybenzylideneamino45dimethylphenylaminomethylidenecyclohexa24dienone55bisdiethylamino2245dimethylophenylenebisnitrilomethylidynediphenol
AT tahirmuhammadnawaz z3diethylamino62e4diethylamino2hydroxybenzylideneamino45dimethylphenylaminomethylidenecyclohexa24dienone55bisdiethylamino2245dimethylophenylenebisnitrilomethylidynediphenol