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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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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. |
format | Online Article Text |
id | pubmed-6690460 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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