Crystal structure of 2-(methylamino)tropone
| Autor: | Hendrik G. Visser, L. Jansen van Vuuren, M. Schutte-Smith |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
crystal structure
Crystallography Aromaticity General Chemistry Crystal structure 010402 general chemistry 010403 inorganic & nuclear chemistry Condensed Matter Physics Ring (chemistry) 01 natural sciences Tropolone Planarity testing Research Communications 0104 chemical sciences 2-(methylamino)tropone chemistry.chemical_compound chemistry QD901-999 Group (periodic table) General Materials Science 2-(methylamino)tropone Tropone tropolone Monoclinic crystal system |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 8, Pp 1128-1132 (2019) Acta Crystallographica Section E: Crystallographic Communications |
| ISSN: | 2056-9890 |
| DOI: | 10.1107/s2056989019009502 |
| Popis: | The title compound crystallizes in the monoclinic space group P21/c with three independent molecules in the asymmetric unit. 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. The title compound, 2-(methylamino)cyclohepta-2,4,6-trien-1-one, C8H9NO, crystallizes in the monoclinic space group P21/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. |
| Databáze: | OpenAIRE |
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