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Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate
The title compound, C(17)H(17)NO(3), was synthesized, characterized by IR spectroscopy and its crystal structure was determined from single-crystal diffraction data. The asymmetric unit contains two molecules, which adopt different conformations. In one molecule, the acetoxy and the terminal 2-me...
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/PMC6509679/ https://www.ncbi.nlm.nih.gov/pubmed/31161049 http://dx.doi.org/10.1107/S2056989019000021 |
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author | Yaman, Mavişe Cakmak, Şukriye Dege, Necmi Odabaşoğlu, Mustafa Pavlenko, Vadim A. Kutuk, Halil |
author_facet | Yaman, Mavişe Cakmak, Şukriye Dege, Necmi Odabaşoğlu, Mustafa Pavlenko, Vadim A. Kutuk, Halil |
author_sort | Yaman, Mavişe |
collection | PubMed |
description | The title compound, C(17)H(17)NO(3), was synthesized, characterized by IR spectroscopy and its crystal structure was determined from single-crystal diffraction data. The asymmetric unit contains two molecules, which adopt different conformations. In one molecule, the acetoxy and the terminal 2-methylphenyl groups are positioned on opposite sides of the plane formed by the central benzene ring, whereas in the other molecule they lie on the same side of this plane. In the crystal, the molecules are linked through strong N—H⋯O hydrogen bonds into chains along [010]. Hirshfeld surface analysis and fingerprint plots were used to investigate the intermolecular interactions in the solid state. |
format | Online Article Text |
id | pubmed-6509679 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-65096792019-06-03 Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate Yaman, Mavişe Cakmak, Şukriye Dege, Necmi Odabaşoğlu, Mustafa Pavlenko, Vadim A. Kutuk, Halil Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(17)H(17)NO(3), was synthesized, characterized by IR spectroscopy and its crystal structure was determined from single-crystal diffraction data. The asymmetric unit contains two molecules, which adopt different conformations. In one molecule, the acetoxy and the terminal 2-methylphenyl groups are positioned on opposite sides of the plane formed by the central benzene ring, whereas in the other molecule they lie on the same side of this plane. In the crystal, the molecules are linked through strong N—H⋯O hydrogen bonds into chains along [010]. Hirshfeld surface analysis and fingerprint plots were used to investigate the intermolecular interactions in the solid state. International Union of Crystallography 2019-03-05 /pmc/articles/PMC6509679/ /pubmed/31161049 http://dx.doi.org/10.1107/S2056989019000021 Text en © Yaman 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 Yaman, Mavişe Cakmak, Şukriye Dege, Necmi Odabaşoğlu, Mustafa Pavlenko, Vadim A. Kutuk, Halil Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate |
title | Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate |
title_full | Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate |
title_fullStr | Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate |
title_full_unstemmed | Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate |
title_short | Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate |
title_sort | synthesis, crystal structure, spectroscopic features and hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6509679/ https://www.ncbi.nlm.nih.gov/pubmed/31161049 http://dx.doi.org/10.1107/S2056989019000021 |
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