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Crystal structure of methyl 2-[2,4-bis(4-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazinecarboxylate
In the title compound, C(22)H(23)F(2)N(3)O(2), the bicyclic ring system exists in a twin-chair conformation with an equatorial disposition of the 4-fluorophenyl groups on the heterocycle. These aromatic rings are inclined to one another by 19.4 (1)°. In the crystal, molecules are linked by pairs o...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186194/ https://www.ncbi.nlm.nih.gov/pubmed/25309164 http://dx.doi.org/10.1107/S1600536814018935 |
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author | Kamaraj, A. Rajkumar, R. Krishnasamy, K. Murugavel, S. |
author_facet | Kamaraj, A. Rajkumar, R. Krishnasamy, K. Murugavel, S. |
author_sort | Kamaraj, A. |
collection | PubMed |
description | In the title compound, C(22)H(23)F(2)N(3)O(2), the bicyclic ring system exists in a twin-chair conformation with an equatorial disposition of the 4-fluorophenyl groups on the heterocycle. These aromatic rings are inclined to one another by 19.4 (1)°. In the crystal, molecules are linked by pairs of N—H⋯O and C—H⋯O hydrogen bonds into inversion dimers, incorporating R (1) (2)(7) and R (2) (2)(8) ring motifs; the same O atom accepts both hydrogen bonds. These dimers are further linked by a pair of C—H⋯F hydrogen bonds, enclosing R (2) (2)(28) ring motifs, forming supramolecular chains along [010]. The NH group of the pyridine ring is not involved in hydrogen bonding, probably due to the steric hindrance of the fluorophenyl groups. |
format | Online Article Text |
id | pubmed-4186194 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41861942014-10-12 Crystal structure of methyl 2-[2,4-bis(4-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazinecarboxylate Kamaraj, A. Rajkumar, R. Krishnasamy, K. Murugavel, S. Acta Crystallogr Sect E Struct Rep Online Research Communications In the title compound, C(22)H(23)F(2)N(3)O(2), the bicyclic ring system exists in a twin-chair conformation with an equatorial disposition of the 4-fluorophenyl groups on the heterocycle. These aromatic rings are inclined to one another by 19.4 (1)°. In the crystal, molecules are linked by pairs of N—H⋯O and C—H⋯O hydrogen bonds into inversion dimers, incorporating R (1) (2)(7) and R (2) (2)(8) ring motifs; the same O atom accepts both hydrogen bonds. These dimers are further linked by a pair of C—H⋯F hydrogen bonds, enclosing R (2) (2)(28) ring motifs, forming supramolecular chains along [010]. The NH group of the pyridine ring is not involved in hydrogen bonding, probably due to the steric hindrance of the fluorophenyl groups. International Union of Crystallography 2014-08-30 /pmc/articles/PMC4186194/ /pubmed/25309164 http://dx.doi.org/10.1107/S1600536814018935 Text en © Kamaraj et al. 2014 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 | Research Communications Kamaraj, A. Rajkumar, R. Krishnasamy, K. Murugavel, S. Crystal structure of methyl 2-[2,4-bis(4-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazinecarboxylate |
title | Crystal structure of methyl 2-[2,4-bis(4-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazinecarboxylate |
title_full | Crystal structure of methyl 2-[2,4-bis(4-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazinecarboxylate |
title_fullStr | Crystal structure of methyl 2-[2,4-bis(4-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazinecarboxylate |
title_full_unstemmed | Crystal structure of methyl 2-[2,4-bis(4-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazinecarboxylate |
title_short | Crystal structure of methyl 2-[2,4-bis(4-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazinecarboxylate |
title_sort | crystal structure of methyl 2-[2,4-bis(4-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazinecarboxylate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186194/ https://www.ncbi.nlm.nih.gov/pubmed/25309164 http://dx.doi.org/10.1107/S1600536814018935 |
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