(E)-2-{[1-(3,11-Dimethyl-4-methyl­ene-10-oxo-1-phenyl-4,5,10,11-tetra­hydro-1H-benzo[b]pyrazolo­[3,4-f][1,5]diazo­cin-5-yl)ethyl­idene]amino}-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide

The central eight-membered ring of the title compound, C(40)H(36)N(8)O(2), deviates from the ideal boat conformation because the bond between the exo-ethyl­ene group and the adjacent N atom is twisted by 60.0 (4)° due to steric hindrance. Its adjacent benzene and pyrazole rings are oriented almost p...

Descripción completa

Detalles Bibliográficos
Autores principales: Meneghetti, Fiorella, Maggio, Benedetta
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3790440/
https://www.ncbi.nlm.nih.gov/pubmed/24098259
http://dx.doi.org/10.1107/S1600536813025671
_version_ 1782286598023413760
author Meneghetti, Fiorella
Maggio, Benedetta
author_facet Meneghetti, Fiorella
Maggio, Benedetta
author_sort Meneghetti, Fiorella
collection PubMed
description The central eight-membered ring of the title compound, C(40)H(36)N(8)O(2), deviates from the ideal boat conformation because the bond between the exo-ethyl­ene group and the adjacent N atom is twisted by 60.0 (4)° due to steric hindrance. Its adjacent benzene and pyrazole rings are oriented almost perpendicular to each other, making a dihedral angle of 85.8 (3)°. In the crystal, the mol­ecules are linked by C(ar)—H⋯O hydrogen bonds, generating a three-dimensional network.
format Online
Article
Text
id pubmed-3790440
institution National Center for Biotechnology Information
language English
publishDate 2013
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-37904402013-10-04 (E)-2-{[1-(3,11-Dimethyl-4-methyl­ene-10-oxo-1-phenyl-4,5,10,11-tetra­hydro-1H-benzo[b]pyrazolo­[3,4-f][1,5]diazo­cin-5-yl)ethyl­idene]amino}-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide Meneghetti, Fiorella Maggio, Benedetta Acta Crystallogr Sect E Struct Rep Online Organic Papers The central eight-membered ring of the title compound, C(40)H(36)N(8)O(2), deviates from the ideal boat conformation because the bond between the exo-ethyl­ene group and the adjacent N atom is twisted by 60.0 (4)° due to steric hindrance. Its adjacent benzene and pyrazole rings are oriented almost perpendicular to each other, making a dihedral angle of 85.8 (3)°. In the crystal, the mol­ecules are linked by C(ar)—H⋯O hydrogen bonds, generating a three-dimensional network. International Union of Crystallography 2013-09-25 /pmc/articles/PMC3790440/ /pubmed/24098259 http://dx.doi.org/10.1107/S1600536813025671 Text en © Meneghetti and Maggio 2013 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
Meneghetti, Fiorella
Maggio, Benedetta
(E)-2-{[1-(3,11-Dimethyl-4-methyl­ene-10-oxo-1-phenyl-4,5,10,11-tetra­hydro-1H-benzo[b]pyrazolo­[3,4-f][1,5]diazo­cin-5-yl)ethyl­idene]amino}-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
title (E)-2-{[1-(3,11-Dimethyl-4-methyl­ene-10-oxo-1-phenyl-4,5,10,11-tetra­hydro-1H-benzo[b]pyrazolo­[3,4-f][1,5]diazo­cin-5-yl)ethyl­idene]amino}-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
title_full (E)-2-{[1-(3,11-Dimethyl-4-methyl­ene-10-oxo-1-phenyl-4,5,10,11-tetra­hydro-1H-benzo[b]pyrazolo­[3,4-f][1,5]diazo­cin-5-yl)ethyl­idene]amino}-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
title_fullStr (E)-2-{[1-(3,11-Dimethyl-4-methyl­ene-10-oxo-1-phenyl-4,5,10,11-tetra­hydro-1H-benzo[b]pyrazolo­[3,4-f][1,5]diazo­cin-5-yl)ethyl­idene]amino}-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
title_full_unstemmed (E)-2-{[1-(3,11-Dimethyl-4-methyl­ene-10-oxo-1-phenyl-4,5,10,11-tetra­hydro-1H-benzo[b]pyrazolo­[3,4-f][1,5]diazo­cin-5-yl)ethyl­idene]amino}-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
title_short (E)-2-{[1-(3,11-Dimethyl-4-methyl­ene-10-oxo-1-phenyl-4,5,10,11-tetra­hydro-1H-benzo[b]pyrazolo­[3,4-f][1,5]diazo­cin-5-yl)ethyl­idene]amino}-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
title_sort (e)-2-{[1-(3,11-dimethyl-4-methyl­ene-10-oxo-1-phenyl-4,5,10,11-tetra­hydro-1h-benzo[b]pyrazolo­[3,4-f][1,5]diazo­cin-5-yl)ethyl­idene]amino}-n-methyl-n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)benzamide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3790440/
https://www.ncbi.nlm.nih.gov/pubmed/24098259
http://dx.doi.org/10.1107/S1600536813025671
work_keys_str_mv AT meneghettifiorella e21311dimethyl4methylene10oxo1phenyl451011tetrahydro1hbenzobpyrazolo34f15diazocin5ylethylideneaminonmethyln3methyl1phenyl1hpyrazol5ylbenzamide
AT maggiobenedetta e21311dimethyl4methylene10oxo1phenyl451011tetrahydro1hbenzobpyrazolo34f15diazocin5ylethylideneaminonmethyln3methyl1phenyl1hpyrazol5ylbenzamide

Ejemplares similares