Crystal structure of (4Z)-4-[(di­methyl­amino)­methyl­idene]-3,5-dioxo-2-phenyl­pyrazolidine-1-carbaldehyde

In the title compound, C(13)H(13)N(3)O(3), the pyrazolidine ring adopts a shallow envelope conformation, with the carbonyl C atom closest to the benzene ring as the flap [deviation of 0.126 (1) Å from the plane through the remaining atoms (r.m.s. deviation = 0.011 Å)]. The dihedral angle between the...

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Autores principales: Mague, Joel T., Mohamed, Shaaban K., Akkurt, Mehmet, Ahmed, Eman A., Khodairy, Ahmed
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/PMC4518909/
https://www.ncbi.nlm.nih.gov/pubmed/26279896
http://dx.doi.org/10.1107/S2056989015010038
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author Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Ahmed, Eman A.
Khodairy, Ahmed
author_facet Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Ahmed, Eman A.
Khodairy, Ahmed
author_sort Mague, Joel T.
collection PubMed
description In the title compound, C(13)H(13)N(3)O(3), the pyrazolidine ring adopts a shallow envelope conformation, with the carbonyl C atom closest to the benzene ring as the flap [deviation of 0.126 (1) Å from the plane through the remaining atoms (r.m.s. deviation = 0.011 Å)]. The dihedral angle between the pyrazolidine ring (all atoms) and the benzene ring is 51.09 (4)°. An extremely short (2.08 Å) intra­molecular C—H⋯O contact is seen. In the crystal, mol­ecules are linked by C—H⋯O bonds, generating [010] chains. Extremely weak C—H⋯π inter­actions are also observed.
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spelling pubmed-45189092015-08-14 Crystal structure of (4Z)-4-[(di­methyl­amino)­methyl­idene]-3,5-dioxo-2-phenyl­pyrazolidine-1-carbaldehyde Mague, Joel T. Mohamed, Shaaban K. Akkurt, Mehmet Ahmed, Eman A. Khodairy, Ahmed Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(13)H(13)N(3)O(3), the pyrazolidine ring adopts a shallow envelope conformation, with the carbonyl C atom closest to the benzene ring as the flap [deviation of 0.126 (1) Å from the plane through the remaining atoms (r.m.s. deviation = 0.011 Å)]. The dihedral angle between the pyrazolidine ring (all atoms) and the benzene ring is 51.09 (4)°. An extremely short (2.08 Å) intra­molecular C—H⋯O contact is seen. In the crystal, mol­ecules are linked by C—H⋯O bonds, generating [010] chains. Extremely weak C—H⋯π inter­actions are also observed. International Union of Crystallography 2015-06-03 /pmc/articles/PMC4518909/ /pubmed/26279896 http://dx.doi.org/10.1107/S2056989015010038 Text en © Mague 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
Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Ahmed, Eman A.
Khodairy, Ahmed
Crystal structure of (4Z)-4-[(di­methyl­amino)­methyl­idene]-3,5-dioxo-2-phenyl­pyrazolidine-1-carbaldehyde
title Crystal structure of (4Z)-4-[(di­methyl­amino)­methyl­idene]-3,5-dioxo-2-phenyl­pyrazolidine-1-carbaldehyde
title_full Crystal structure of (4Z)-4-[(di­methyl­amino)­methyl­idene]-3,5-dioxo-2-phenyl­pyrazolidine-1-carbaldehyde
title_fullStr Crystal structure of (4Z)-4-[(di­methyl­amino)­methyl­idene]-3,5-dioxo-2-phenyl­pyrazolidine-1-carbaldehyde
title_full_unstemmed Crystal structure of (4Z)-4-[(di­methyl­amino)­methyl­idene]-3,5-dioxo-2-phenyl­pyrazolidine-1-carbaldehyde
title_short Crystal structure of (4Z)-4-[(di­methyl­amino)­methyl­idene]-3,5-dioxo-2-phenyl­pyrazolidine-1-carbaldehyde
title_sort crystal structure of (4z)-4-[(di­methyl­amino)­methyl­idene]-3,5-dioxo-2-phenyl­pyrazolidine-1-carbaldehyde
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518909/
https://www.ncbi.nlm.nih.gov/pubmed/26279896
http://dx.doi.org/10.1107/S2056989015010038
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