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Crystal structure of 2-(methyl­amino)­tropone

The title compound, 2-(methyl­amino)­cyclo­hepta-2,4,6-trien-1-one, C(8)H(9)NO, crystallizes in the monoclinic space group P2(1)/c, with three independent mol­ecules in the asymmetric unit. The planarity of the mol­ecules is indicated by planes fitted through the seven ring carbon atoms. Small devia...

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Autores principales: Jansen van Vuuren, Leandri, Visser, Hendrik G., Schutte-Smith, Marietjie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690460/
https://www.ncbi.nlm.nih.gov/pubmed/31417778
http://dx.doi.org/10.1107/S2056989019009502
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author Jansen van Vuuren, Leandri
Visser, Hendrik G.
Schutte-Smith, Marietjie
author_facet Jansen van Vuuren, Leandri
Visser, Hendrik G.
Schutte-Smith, Marietjie
author_sort Jansen van Vuuren, Leandri
collection PubMed
description The title compound, 2-(methyl­amino)­cyclo­hepta-2,4,6-trien-1-one, C(8)H(9)NO, crystallizes in the monoclinic space group P2(1)/c, with three independent mol­ecules in the asymmetric unit. The planarity of the mol­ecules is indicated by planes fitted through the seven ring carbon atoms. Small deviations from the planes, with an extremal r.m.s. deviation of 0.0345 Å, are present. In complexes of transition metals with similar ligands, the large planar seven-membered aromatic rings have shown to improve the stability of the complex. Two types of hydrogen-bonding inter­actions, C—H⋯O and N—H⋯O, are observed, as well as bifurcation of these inter­actions. The N—H⋯O inter­actions link mol­ecules to form infinite chains. The packing of mol­ecules in the unit cell shows a pattern of overlapping aromatic rings, forming column-like formations. π–π inter­actions are observed between the overlapping aromatic rings at 3.4462 (19) Å from each other.
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spelling pubmed-66904602019-08-15 Crystal structure of 2-(methyl­amino)­tropone Jansen van Vuuren, Leandri Visser, Hendrik G. Schutte-Smith, Marietjie Acta Crystallogr E Crystallogr Commun Research Communications The title compound, 2-(methyl­amino)­cyclo­hepta-2,4,6-trien-1-one, C(8)H(9)NO, crystallizes in the monoclinic space group P2(1)/c, with three independent mol­ecules in the asymmetric unit. The planarity of the mol­ecules is indicated by planes fitted through the seven ring carbon atoms. Small deviations from the planes, with an extremal r.m.s. deviation of 0.0345 Å, are present. In complexes of transition metals with similar ligands, the large planar seven-membered aromatic rings have shown to improve the stability of the complex. Two types of hydrogen-bonding inter­actions, C—H⋯O and N—H⋯O, are observed, as well as bifurcation of these inter­actions. The N—H⋯O inter­actions link mol­ecules to form infinite chains. The packing of mol­ecules in the unit cell shows a pattern of overlapping aromatic rings, forming column-like formations. π–π inter­actions are observed between the overlapping aromatic rings at 3.4462 (19) Å from each other. International Union of Crystallography 2019-07-09 /pmc/articles/PMC6690460/ /pubmed/31417778 http://dx.doi.org/10.1107/S2056989019009502 Text en © Jansen van Vuuren 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
Jansen van Vuuren, Leandri
Visser, Hendrik G.
Schutte-Smith, Marietjie
Crystal structure of 2-(methyl­amino)­tropone
title Crystal structure of 2-(methyl­amino)­tropone
title_full Crystal structure of 2-(methyl­amino)­tropone
title_fullStr Crystal structure of 2-(methyl­amino)­tropone
title_full_unstemmed Crystal structure of 2-(methyl­amino)­tropone
title_short Crystal structure of 2-(methyl­amino)­tropone
title_sort crystal structure of 2-(methyl­amino)­tropone
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690460/
https://www.ncbi.nlm.nih.gov/pubmed/31417778
http://dx.doi.org/10.1107/S2056989019009502
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